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Substance Name: Eristostatin
RN: 132051-67-3
InChIKey: LOIUCWHPRNDTSD-GESTWZJASA-N

Note

  • Disintegrin from venom of Eristocophis macmahoin; inhibits platelet thromboembolism & protects animal from sudden death.

Molecular Weight

  • 5539.2985
 
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Names and Synonyms

Name of Substance

  • Eristostatin

Systematic Name

  • Eristostatin

Registry Numbers

CAS Registry Number

  • 132051-67-3

System Generated Number

  • 0132051673

Structure Descriptors

InChI

1S/C227H355N77O70S8/c1-106(2)174(297-193(346)132(50-30-74-254-227(247)248)275-207(360)152(103-380)295-218(371)175(107(3)4)298-192(345)125(42-18-22-66-229)266-163(313)92-257-178(331)108(5)262-184(337)128(46-26-70-250-223(239)240)270-186(339)126(43-19-23-67-230)272-194(347)135(79-113-35-11-10-12-36-113)278-188(341)127(44-20-24-68-231)273-205(358)148(99-376)289-190(343)130(48-28-72-252-225(243)244)271-187(340)129(47-27-71-251-224(241)242)274-206(359)149(100-377)292-209(362)151(102-379)294-211(364)155-51-31-75-301(155)166(316)95-260-216(369)176(111(8)306)299-180(333)110(7)263-204(357)147(98-375)293-214(367)158-54-32-76-302(158)219(372)134(61-64-168(319)320)277-191(344)133(60-63-167(317)318)269-181(334)120(232)59-62-159(233)309)217(370)264-109(6)179(332)268-123(45-25-69-249-222(237)238)182(335)258-93-165(315)267-141(86-169(321)322)199(352)280-137(81-115-90-255-121-39-15-13-37-118(115)121)196(349)282-140(84-161(235)311)198(351)283-143(88-171(325)326)201(354)284-142(87-170(323)324)200(353)279-136(80-114-55-57-117(308)58-56-114)195(348)290-153(104-381)210(363)300-177(112(9)307)215(368)259-94-164(314)265-124(41-17-21-65-228)185(338)288-146(97-305)203(356)291-150(101-378)208(361)285-144(89-172(327)328)202(355)296-154(105-382)221(374)304-78-34-52-156(304)212(365)276-131(49-29-73-253-226(245)246)189(342)287-145(85-162(236)312)220(373)303-77-33-53-157(303)213(366)286-138(82-116-91-256-122-40-16-14-38-119(116)122)197(350)281-139(83-160(234)310)183(336)261-96-173(329)330/h10-16,35-40,55-58,90-91,106-112,120,123-158,174-177,255-256,305-308,375-382H,17-34,41-54,59-89,92-105,228-232H2,1-9H3,(H2,233,309)(H2,234,310)(H2,235,311)(H2,236,312)(H,257,331)(H,258,335)(H,259,368)(H,260,369)(H,261,336)(H,262,337)(H,263,357)(H,264,370)(H,265,314)(H,266,313)(H,267,315)(H,268,332)(H,269,334)(H,270,339)(H,271,340)(H,272,347)(H,273,358)(H,274,359)(H,275,360)(H,276,365)(H,277,344)(H,278,341)(H,279,353)(H,280,352)(H,281,350)(H,282,349)(H,283,351)(H,284,354)(H,285,361)(H,286,366)(H,287,342)(H,288,338)(H,289,343)(H,290,348)(H,291,356)(H,292,362)(H,293,367)(H,294,364)(H,295,371)(H,296,355)(H,297,346)(H,298,345)(H,299,333)(H,300,363)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H4,237,238,249)(H4,239,240,250)(H4,241,242,251)(H4,243,244,252)(H4,245,246,253)(H4,247,248,254)/t108-,109-,110-,111+,112+,120-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,174-,175-,176-,177-/m0/s1

InChIKey

LOIUCWHPRNDTSD-GESTWZJASA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc8ccccc8)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]9CCCN9C(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)N