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Substance Name: Cardionatrin IV
RN: 92353-90-7
InChIKey: FDVABXKOTNZPBP-OUEULZJRSA-N

Molecular Weight

  • 13645.2362
 
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Names and Synonyms

Name of Substance

  • Cardionatrin IV

Synonyms

  • 2-N-Lys-atriopeptin 126
  • Atriopeptin 126, N-lys(2)-
  • Atriopeptin 126, N-lysine(2)-

Systematic Name

  • Atriopeptin-126, N2-L-lysyl-, (16alpha)-

Registry Numbers

CAS Registry Number

  • 92353-90-7

System Generated Number

  • 0092353907

Structure Descriptors

InChI

1S/C588H938N174O190S5/c1-63-294(45)460-561(934)645-248-429(796)652-299(50)468(841)665-341(150-162-417(596)784)500(873)727-390(255-763)481(854)644-250-433(800)663-354(203-273(3)4)477(850)642-251-434(801)664-405(552(925)712-377(228-422(601)789)528(901)736-397(262-770)546(919)708-371(220-311-111-72-67-73-112-311)523(896)674-334(127-93-186-630-584(614)615)490(863)726-389(578(951)952)222-313-143-147-318(782)148-144-313)270-956-957-271-406(553(926)706-369(218-309-107-68-65-69-108-309)479(852)640-243-426(793)638-246-430(797)661-325(123-89-182-626-580(606)607)502(875)750-461(295(46)64-2)568(941)721-384(236-450(830)831)531(904)676-338(504(877)749-460)131-97-190-634-588(622)623)742-551(924)401(266-774)738-549(922)399(264-772)731-492(865)335(128-94-187-631-585(616)617)668-485(858)332(125-91-184-628-582(610)611)673-512(885)365(214-284(25)26)704-544(917)396(261-769)730-494(867)337(130-96-189-633-587(620)621)687-554(927)407-132-98-191-754(407)435(802)253-647-466(839)297(48)655-509(882)356(205-275(7)8)698-515(888)357(206-276(9)10)693-471(844)302(53)656-482(855)331(124-90-183-627-581(608)609)672-510(883)361(210-280(17)18)697-487(860)328(119-80-85-178-591)677-540(913)393(258-766)729-491(864)329(120-81-86-179-592)670-511(884)362(211-281(19)20)699-516(889)358(207-277(11)12)694-473(846)304(55)658-538(911)391(256-764)728-493(866)336(129-95-188-632-586(618)619)675-529(902)381(233-447(824)825)717-547(920)403(268-776)740-559(932)410-135-101-195-758(410)574(947)388(239-453(836)837)724-525(898)373(223-314-240-635-322-115-76-74-113-319(314)322)718-555(928)408-133-99-192-755(408)436(803)254-648-476(849)324(122-88-181-625-579(604)605)660-431(798)249-643-478(851)355(204-274(5)6)692-469(842)300(51)651-427(794)245-637-425(792)244-641-480(853)379(231-445(820)821)713-489(862)333(126-92-185-629-583(612)613)669-495(868)342(151-163-418(597)785)683-543(916)402(267-775)739-558(931)409-134-100-194-757(409)573(946)387(230-424(603)791)725-566(939)457(291(39)40)745-505(878)339(153-165-437(804)805)662-432(799)252-646-562(935)462(306(57)778)751-536(909)374(224-315-241-636-323-116-77-75-114-320(315)323)719-557(930)412-137-104-197-760(412)576(949)415-140-106-199-762(415)577(950)459(293(43)44)748-507(880)350(160-172-444(818)819)685-542(915)395(260-768)734-521(894)368(217-287(31)32)705-545(918)398(263-771)737-550(923)400(265-773)735-520(893)359(208-278(13)14)695-470(843)301(52)653-467(840)298(49)650-428(795)247-639-465(838)296(47)654-484(857)344(154-166-438(806)807)680-532(905)385(237-451(832)833)722-569(942)463(307(58)779)752-508(881)343(152-164-419(598)786)678-498(871)347(157-169-441(812)813)684-541(914)394(259-767)733-519(892)360(209-279(15)16)696-472(845)303(54)657-483(856)340(149-161-416(595)783)688-556(929)411-136-103-196-759(411)575(948)414-139-105-198-761(414)572(945)353(175-202-955-62)691-564(937)455(289(35)36)746-506(879)349(159-171-443(816)817)682-530(903)380(232-446(822)823)714-499(872)348(158-170-442(814)815)689-563(936)458(292(41)42)747-560(933)413-138-102-193-756(413)571(944)352(174-201-954-61)690-486(859)326(117-78-83-176-589)667-496(869)345(155-167-439(808)809)679-497(870)346(156-168-440(810)811)681-513(886)363(212-282(21)22)701-526(899)375(225-316-242-624-272-649-316)709-534(907)383(235-449(828)829)716-518(891)367(216-286(29)30)700-517(890)366(215-285(27)28)702-527(900)376(227-421(600)788)710-488(861)327(118-79-84-177-590)671-522(895)370(219-310-109-70-66-71-110-310)707-533(906)382(234-448(826)827)715-501(874)351(173-200-953-60)686-514(887)364(213-283(23)24)703-535(908)386(238-452(834)835)723-570(943)464(308(59)780)753-537(910)378(229-423(602)790)711-548(921)404(269-777)741-567(940)454(288(33)34)743-474(847)305(56)659-539(912)392(257-765)732-524(897)372(221-312-141-145-317(781)146-142-312)720-565(938)456(290(37)38)744-503(876)330(121-82-87-180-593)666-475(848)321(594)226-420(599)787/h65-77,107-116,141-148,240-242,272-308,321,324-415,454-464,635-636,763-782H,63-64,78-106,117-140,149-239,243-271,589-594H2,1-62H3,(H2,595,783)(H2,596,784)(H2,597,785)(H2,598,786)(H2,599,787)(H2,600,788)(H2,601,789)(H2,602,790)(H2,603,791)(H,624,649)(H,637,792)(H,638,793)(H,639,838)(H,640,852)(H,641,853)(H,642,850)(H,643,851)(H,644,854)(H,645,934)(H,646,935)(H,647,839)(H,648,849)(H,650,795)(H,651,794)(H,652,796)(H,653,840)(H,654,857)(H,655,882)(H,656,855)(H,657,856)(H,658,911)(H,659,912)(H,660,798)(H,661,797)(H,662,799)(H,663,800)(H,664,801)(H,665,841)(H,666,848)(H,667,869)(H,668,858)(H,669,868)(H,670,884)(H,671,895)(H,672,883)(H,673,885)(H,674,896)(H,675,902)(H,676,904)(H,677,913)(H,678,871)(H,679,870)(H,680,905)(H,681,886)(H,682,903)(H,683,916)(H,684,914)(H,685,915)(H,686,887)(H,687,927)(H,688,929)(H,689,936)(H,690,859)(H,691,937)(H,692,842)(H,693,844)(H,694,846)(H,695,843)(H,696,845)(H,697,860)(H,698,888)(H,699,889)(H,700,890)(H,701,899)(H,702,900)(H,703,908)(H,704,917)(H,705,918)(H,706,926)(H,707,906)(H,708,919)(H,709,907)(H,710,861)(H,711,921)(H,712,925)(H,713,862)(H,714,872)(H,715,874)(H,716,891)(H,717,920)(H,718,928)(H,719,930)(H,720,938)(H,721,941)(H,7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InChIKey

FDVABXKOTNZPBP-OUEULZJRSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@@H]9CCCN9C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H]%10CCCN%10C(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc%11c[nH]c%12ccccc%11%12)NC(=O)[C@@H]%13CCCN%13C(=O)[C@@H]%14CCCN%14C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]%15CCCN%15C(=O)[C@@H]%16CCCN%16C(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]%17CCCN%17C(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc%18cnc[nH]%18)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc%19ccccc%19)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc%20ccc(O)cc%20)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)N)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC