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Substance Name: ESBA 105
RN: 1142149-71-0
InChIKey: LKKKLKMTAXSQNQ-YNQNNNNGSA-N

Molecular Weight

  • 12605.1179
 
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Names and Synonyms

Synonyms

  • DLX 105
  • DLX105

Systematic Name

  • ESBA 105

Registry Numbers

CAS Registry Number

  • 1142149-71-0

System Generated Number

  • 1142149710

Structure Descriptors

InChI

1S/C558H861N155O171S4/c1-59-279(40)440-536(867)674-373(226-411(578)754)511(842)705-447(292(53)731)544(875)673-367(220-405(572)748)461(792)608-241-421(764)624-347(199-263(8)9)504(835)700-442(281(42)61-3)538(869)708-448(293(54)732)541(872)642-327(118-83-88-182-562)471(802)675-377(216-305-141-153-314(740)154-142-305)550(881)712-193-99-129-396(712)526(857)670-375(228-430(778)779)502(833)681-388(256-724)520(851)697-435(274(30)31)529(860)640-323(116-81-86-180-560)458(789)605-238-417(760)620-325(121-91-185-592-554(581)582)466(797)655-363(210-299-107-72-65-73-108-299)507(838)706-449(294(55)733)546(877)701-441(280(41)60-2)537(868)685-386(254-722)514(845)632-330(124-94-188-595-557(587)588)470(801)668-374(227-429(776)777)501(832)665-368(221-406(573)749)482(813)614-284(45)452(783)628-326(117-82-87-181-561)468(799)664-372(225-410(577)753)510(841)704-445(290(51)729)542(873)671-353(205-269(20)21)488(819)657-358(212-301-133-145-310(736)146-134-301)491(822)651-349(201-265(12)13)485(816)634-334(158-169-401(568)744)473(804)637-341(177-195-885-57)479(810)663-371(224-409(576)752)500(831)680-382(250-718)516(847)653-351(203-267(16)17)486(817)646-343(119-84-89-183-563)548(879)711-192-98-128-395(711)525(856)639-338(163-174-426(770)771)476(807)669-376(229-431(780)781)512(843)702-444(289(50)728)539(870)617-286(47)454(785)648-348(200-264(10)11)487(818)656-359(213-302-135-147-311(737)148-136-302)492(823)658-361(215-304-139-151-313(739)152-140-304)496(827)688-391(521(852)616-285(46)453(784)629-328(122-92-186-593-555(583)584)472(803)686-389(257-725)551(882)713-194-100-130-397(713)527(858)682-380(248-716)464(795)610-242-422(765)625-355(207-296-101-66-62-67-102-296)490(821)666-369(222-407(574)750)498(829)630-324(120-90-184-591-553(579)580)459(790)606-239-418(761)621-332(156-167-399(566)742)460(791)607-245-424(767)690-443(288(49)727)540(871)645-336(160-171-403(570)746)480(811)692-439(278(38)39)535(866)707-450(295(56)734)545(876)698-438(277(36)37)534(865)684-387(255-723)518(849)687-390(258-726)552(883)884)259-887-888-260-392(689-519(850)384(252-720)678-489(820)352(204-268(18)19)649-469(800)329(123-93-187-594-556(585)586)631-484(815)350(202-266(14)15)652-513(844)381(249-717)627-416(759)237-602-414(757)235-611-524(855)394-127-97-191-710(394)549(880)344(161-172-404(571)747)647-532(863)436(275(32)33)693-503(834)346(198-262(6)7)623-415(758)236-601-412(755)233-600-413(756)234-603-463(794)379(247-715)677-477(808)339(164-175-427(772)773)644-531(862)434(273(28)29)694-505(836)354(206-270(22)23)650-474(805)335(159-170-402(569)745)643-528(859)432(271(24)25)691-456(787)318(564)155-166-398(565)741)522(853)615-282(43)451(782)613-283(44)455(786)676-378(246-714)462(793)609-243-423(766)626-356(208-297-103-68-63-69-104-297)506(837)703-446(291(52)730)543(874)672-362(209-298-105-70-64-71-106-298)495(826)679-383(251-719)517(848)667-370(223-408(575)751)499(830)659-360(214-303-137-149-312(738)150-138-303)494(825)661-364(217-306-230-597-319-112-77-74-109-315(306)319)497(828)638-342(178-196-886-58)478(809)654-357(211-300-131-143-309(735)144-132-300)493(824)662-366(219-308-232-599-321-114-79-76-111-317(308)321)509(840)695-433(272(26)27)530(861)641-331(125-95-189-596-558(589)590)467(798)633-333(157-168-400(567)743)465(796)618-287(48)547(878)709-190-96-126-393(709)523(854)612-244-419(762)619-322(115-80-85-179-559)457(788)604-240-420(763)622-345(197-261(4)5)483(814)635-337(162-173-425(768)769)475(806)660-365(218-307-231-598-320-113-78-75-110-316(307)320)508(839)696-437(276(34)35)533(864)683-385(253-721)515(846)636-340(481(812)699-440)165-176-428(774)775/h62-79,101-114,131-154,230-232,261-295,318,322-397,432-450,597-599,714-740H,59-61,80-100,115-130,155-229,233-260,559-564H2,1-58H3,(H2,565,741)(H2,566,742)(H2,567,743)(H2,568,744)(H2,569,745)(H2,570,746)(H2,571,747)(H2,572,748)(H2,573,749)(H2,574,750)(H2,575,751)(H2,576,752)(H2,577,753)(H2,578,754)(H,600,756)(H,601,755)(H,602,757)(H,603,794)(H,604,788)(H,605,789)(H,606,790)(H,607,791)(H,608,792)(H,609,793)(H,610,795)(H,611,855)(H,612,854)(H,613,782)(H,614,813)(H,615,853)(H,616,852)(H,617,870)(H,618,796)(H,619,762)(H,620,760)(H,621,761)(H,622,763)(H,623,758)(H,624,764)(H,625,765)(H,626,766)(H,627,759)(H,628,783)(H,629,784)(H,630,829)(H,631,815)(H,632,845)(H,633,798)(H,634,816)(H,635,814)(H,636,846)(H,637,804)(H,638,828)(H,639,856)(H,640,860)(H,641,861)(H,642,872)(H,643,859)(H,644,862)(H,645,871)(H,646,817)(H,647,863)(H,648,785)(H,649,800)(H,650,805)(H,651,822)(H,652,844)(H,653,847)(H,654,809)(H,655,797)(H,656,818)(H,657,819)(H,658,823)(H,659,830)(H,660,806)(H,661,825)(H,662,824)(H,663,810)(H,664,799)(H,665,832)(H,666,821)(H,667,848)(H,668,801)(H,669,807)(H,670,857)(H,671,873)(H,672,874)(H,673,875)(H,674,867)(H,675,802)(H,676,786)(H,677,808)(H,678,820)(H,679,826)(H,680,831)(H,681,833)(H,682,858)(H,683,864)(H,684,865)(H,685,868)(H,686,803)(H,687,849)(H,688,827)(H,689,850)(H,690,767)(H,691,787)(H,692,811)(H,693,834)(H,694,836)(H,695,840)(H,696,839)(H,697,851)(H,698,876)(H,699,812)(H,700,835)(H,701,877)(H,702,843)(H,703,837)(H,704,841)(H,705,842)(H,706,838)(H,707,866)(H,708,869)(H,768,769)(H,770,771)(H,772,773)(H,774,775)(H,776,777)(H,778,779)(H,780,781)(H,883,884)(H4,579,580,591)(H4,581,582,592)(H4,583,584,593)(H4,585,586,594)(H4,587,588,595)(H4,589,590,596)/t279-,280-,281-,282-,283-,284-,285-,286-,287-,288+,289+,290+,291+,292+,293+,294+,295+,318-,322-,323-,324-,325-,326-,327-,328-,329-,330-,331-,332-,333-,334-,335-,336-,337-,338-,339-,340-,341-,342-,343-,344-,345-,346-,347-,348-,349-,350-,351-,352-,353-,354-,355-,356-,357-,358-,359-,360-,361-,362-,363-,364-,365-,366-,367-,368-,369-,370-,371-,372-,373-,374-,375-,376-,377-,378-,379-,380-,381-,382-,383-,384-,385-,386-,387-,388-,389-,390-,391-,392-,393-,394-,395-,396-,397-,432-,433-,434-,435-,436-,437-,438-,439-,440-,441-,442-,443-,444-,445-,446-,447-,448-,449-,450-/m0/s1

InChIKey

LKKKLKMTAXSQNQ-YNQNNNNGSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc%10ccc(O)cc%10)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc%11ccccc%11)NC(=O)[C@@H](NC(=O)[C@H](Cc%12ccccc%12)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc%13ccc(O)cc%13)NC(=O)[C@H](Cc%14ccc(O)cc%14)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]%15CCCN%15C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc%16ccc(O)cc%16)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc%17ccccc%17)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]%18CCCN%18C(=O)[C@H](Cc%19ccc(O)cc%19)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N%20CCC[C@H]%20C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc%21ccccc%21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H]%22CCCN%22C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C