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Substance Name: Echistatin
RN: 118337-11-4
InChIKey: XTQKHDSOHXHFBR-WONZOVATSA-N

Note

  • From the venom of the viper Echis.

Classification Codes

  • Hematologic Agents
  • Platelet Aggregation Inhibitors

Molecular Formula

  • C217-H349-N71-O74-S9

Molecular Weight

  • 5399.0587
 
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Names and Synonyms

Name of Substance

  • Echistatin

Synonyms

  • Echistatin alpha1
  • Echistatin alpha2
  • Echistatin beta

Systematic Name

  • Echistatin alpha1 (reduced)

Registry Numbers

CAS Registry Number

  • 118337-11-4

System Generated Number

  • 0118337114

Structure Descriptors

InChI

1S/C218H343N71O74S8/c1-12-103(6)167-209(357)279-144-97-370-371-99-146(213(361)289-71-33-47-149(289)207(355)260-122(44-29-67-240-218(234)235)184(332)272-137(79-153(227)297)212(360)288-70-32-48-150(288)208(356)271-129(76-111-85-236-100-246-111)191(339)252-114(36-16-21-59-219)175(323)244-89-157(301)286-68-30-45-147(286)205(353)248-105(8)172(320)285-170(108(11)293)214(362)363)281-197(345)136(84-166(317)318)270-203(351)145-98-369-366-94-141-200(348)257-121(43-28-66-239-217(232)233)183(331)266-131(78-152(226)296)192(340)276-140(199(347)256-119(40-20-25-63-223)182(330)263-127(74-109-34-14-13-15-35-109)189(337)261-125(72-101(2)3)187(335)254-117(38-18-23-61-221)181(329)258-123(54-57-160(305)306)176(324)242-88-156(300)282-168(106(9)291)211(359)283-167)93-365-364-92-139(274-173(321)113(224)53-56-159(303)304)198(346)259-124(55-58-161(307)308)185(333)273-138(91-290)178(326)245-90-158(302)287-69-31-46-148(287)206(354)278-143(204(352)277-141)96-368-367-95-142(202(350)265-130(77-151(225)295)177(325)243-86-154(298)249-116(37-17-22-60-220)186(334)284-169(107(10)292)210(358)280-145)275-190(338)128(75-110-49-51-112(294)52-50-110)264-195(343)134(82-164(313)314)269-196(344)135(83-165(315)316)267-188(336)126(73-102(4)5)262-194(342)133(81-163(311)312)268-193(341)132(80-162(309)310)250-155(299)87-241-174(322)115(41-26-64-237-215(228)229)251-171(319)104(7)247-179(327)120(42-27-65-238-216(230)231)253-180(328)118(255-201(144)349)39-19-24-62-222/h13-15,34-35,49-52,85,100-108,113-150,167-170,290-294H,12,16-33,36-48,53-84,86-99,219-224H2,1-11H3,(H2,225,295)(H2,226,296)(H2,227,297)(H,236,246)(H,241,322)(H,242,324)(H,243,325)(H,244,323)(H,245,326)(H,247,327)(H,248,353)(H,249,298)(H,250,299)(H,251,319)(H,252,339)(H,253,328)(H,254,335)(H,255,349)(H,256,347)(H,257,348)(H,258,329)(H,259,346)(H,260,355)(H,261,337)(H,262,342)(H,263,330)(H,264,343)(H,265,350)(H,266,331)(H,267,336)(H,268,341)(H,269,344)(H,270,351)(H,271,356)(H,272,332)(H,273,333)(H,274,321)(H,275,338)(H,276,340)(H,277,352)(H,278,354)(H,279,357)(H,280,358)(H,281,345)(H,282,300)(H,283,359)(H,284,334)(H,285,320)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,362,363)(H4,228,229,237)(H4,230,231,238)(H4,232,233,239)(H4,234,235,240)/t103-,104-,105-,106+,107+,108+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,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-,167-,168-,169-,170-/m0/s1

InChIKey

XTQKHDSOHXHFBR-WONZOVATSA-N

Smiles

N(C(=N)N)CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]4NC(=O)[C@@H](NC(=O)[C@H]5N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CSSC3)CCC(=O)O)CO)CCC5)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)CCCNC(=N)N)CC(=O)O)CC(=O)O)CC(C)C)CC(=O)O)CC(=O)O)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N5[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](O)C)CCC5)CCCCN)Cc5[nH]cnc5)CCC3)CC(=O)N)CCCNC(=N)N)CCC1)CSSC2)CC(=O)O)CSSC4)[C@@H](O)C)CCCCN)CC(=O)N)CCCNC(=N)N)CC(=O)N)CCCCN)Cc1ccccc1)CC(C)C)CCCCN)CCC(=O)O)[C@@H](O)C)[C@@H](C)CC)CCCCN