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Substance Name: Colicin E3 (B-subunit) 85
RN: 78213-77-1
InChIKey: BZMLTVFRLCPTBG-NCTQSCLKSA-N

Molecular Formula

  • C450-H639-N105-O143-S3

Molecular Weight

  • 9903.7881
 
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Names and Synonyms

  • Colicin E3 (B-subunit) 85

Registry Numbers

CAS Registry Number

  • 78213-77-1

System Generated Number

  • 0078213771

Structure Descriptors

InChI

1S/C450H639N105O143S3/c1-36-230(28)367(441(689)479-233(31)372(620)486-271(133-141-343(584)585)386(634)514-297(178-249-200-469-261-103-67-64-100-257(249)261)423(671)547-366(229(26)27)448(696)555-156-82-112-326(555)435(683)530-282(163-222(12)13)396(644)502-280(161-220(8)9)394(642)499-277(131-139-329(458)569)446(694)553-154-80-111-325(553)434(682)532-294(176-247-120-128-255(567)129-121-247)405(653)507-286(167-238-87-51-41-52-88-238)401(649)517-301(183-332(461)572)410(658)515-298(180-251-202-466-217-478-251)408(656)495-270(130-138-328(457)568)392(640)548-368(231(29)37-2)442(690)535-316(198-360(618)619)426(674)549-369(232(30)38-3)443(691)541-322(214-560)430(678)529-314(196-358(614)615)420(668)518-300(182-331(460)571)409(657)496-273(135-143-345(588)589)388(636)505-291(174-245-116-124-253(565)125-117-245)400(648)511-295(172-243-97-61-46-62-98-243)422(670)543-363(226(20)21)439(687)540-321(213-559)429(677)512-288(169-240-91-55-43-56-92-240)403(651)527-313(195-357(612)613)418(666)510-290(173-244-114-122-252(564)123-115-244)398(646)491-268(110-79-153-467-450(464)465)383(631)520-304(186-348(594)595)378(626)475-206-338(578)483-307(189-351(600)601)413(661)536-317(449(697)698)179-250-201-470-262-104-68-65-101-258(250)262)550-440(688)364(227(22)23)545-425(673)315(197-359(616)617)528-404(652)289(170-241-93-57-44-58-94-241)513-433(681)324(216-699)485-340(580)208-474-377(625)299(181-330(459)570)516-411(659)302(184-333(462)573)534-438(686)362(225(18)19)544-424(672)303(185-334(463)574)519-419(667)311(193-355(608)609)523-381(629)265(107-71-76-150-453)489-399(647)293(171-242-95-59-45-60-96-242)531-436(684)327-113-81-155-554(327)447(695)365(228(24)25)542-341(581)209-477-375(623)278(159-218(4)5)500-428(676)320(212-558)537-390(638)274(136-144-346(590)591)494-391(639)276(147-158-701-35)498-437(685)361(224(16)17)546-431(679)318(210-556)484-339(579)207-476-379(627)305(187-349(596)597)521-412(660)306(188-350(598)599)482-337(577)205-473-376(624)284(165-236-83-47-39-48-84-236)504-416(664)309(191-353(604)605)522-382(630)266(108-72-77-151-454)492-427(675)319(211-557)539-406(654)292(175-246-118-126-254(566)127-119-246)506-387(635)272(134-142-344(586)587)493-385(633)269(132-140-342(582)583)480-335(575)204-472-374(622)263(105-69-74-148-451)487-397(645)285(166-237-85-49-40-50-86-237)509-417(665)310(192-354(606)607)524-389(637)275(137-145-347(592)593)497-444(692)370(234(32)562)552-432(680)323(215-561)538-384(632)267(109-73-78-152-455)490-414(662)308(190-352(602)603)526-402(650)287(168-239-89-53-42-54-90-239)508-407(655)296(177-248-199-468-260-102-66-63-99-256(248)260)533-445(693)371(235(33)563)551-421(669)283(164-223(14)15)503-415(663)312(194-356(610)611)525-395(643)281(162-221(10)11)501-380(628)264(106-70-75-149-452)488-393(641)279(160-219(6)7)481-336(576)203-471-373(621)259(456)146-157-700-34/h39-68,83-104,114-129,199-202,217-235,259,263-327,361-371,468-470,556-567,699H,36-38,69-82,105-113,130-198,203-216,451-456H2,1-35H3,(H2,457,568)(H2,458,569)(H2,459,570)(H2,460,571)(H2,461,572)(H2,462,573)(H2,463,574)(H,466,478)(H,471,621)(H,472,622)(H,473,624)(H,474,625)(H,475,626)(H,476,627)(H,477,623)(H,479,689)(H,480,575)(H,481,576)(H,482,577)(H,483,578)(H,484,579)(H,485,580)(H,486,620)(H,487,645)(H,488,641)(H,489,647)(H,490,662)(H,491,646)(H,492,675)(H,493,633)(H,494,639)(H,495,656)(H,496,657)(H,497,692)(H,498,685)(H,499,642)(H,500,676)(H,501,628)(H,502,644)(H,503,663)(H,504,664)(H,505,636)(H,506,635)(H,507,653)(H,508,655)(H,509,665)(H,510,666)(H,511,648)(H,512,677)(H,513,681)(H,514,634)(H,515,658)(H,516,659)(H,517,649)(H,518,668)(H,519,667)(H,520,631)(H,521,660)(H,522,630)(H,523,629)(H,524,637)(H,525,643)(H,526,650)(H,527,651)(H,528,652)(H,529,678)(H,530,683)(H,531,684)(H,532,682)(H,533,693)(H,534,686)(H,535,690)(H,536,661)(H,537,638)(H,538,632)(H,539,654)(H,540,687)(H,541,691)(H,542,581)(H,543,670)(H,544,672)(H,545,673)(H,546,679)(H,547,671)(H,548,640)(H,549,674)(H,550,688)(H,551,669)(H,552,680)(H,582,583)(H,584,585)(H,586,587)(H,588,589)(H,590,591)(H,592,593)(H,594,595)(H,596,597)(H,598,599)(H,600,601)(H,602,603)(H,604,605)(H,606,607)(H,608,609)(H,610,611)(H,612,613)(H,614,615)(H,616,617)(H,618,619)(H,697,698)(H4,464,465,467)/t230-,231-,232-,233-,234+,235+,259-,263-,264-,265-,266-,267-,268-,269-,270-,271-,272-,273-,274-,275-,276-,277-,278-,279-,280-,281-,282-,283-,284-,285-,286-,287-,288-,289-,290-,291-,292-,293-,294-,295-,296-,297-,298-,299-,300-,301-,302-,303-,304-,305-,306-,307-,308-,309-,310-,311-,312-,313-,314-,315-,316-,317-,318-,319-,320-,321-,322-,323-,324-,325-,326-,327-,361-,362-,363-,364-,365-,366-,367-,368-,369-,370-,371-/m0/s1

InChIKey

BZMLTVFRLCPTBG-NCTQSCLKSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc5c[nH]c6c5cccc6)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc8ccccc8)NC(=O)[C@H](Cc9ccc(cc9)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)N