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Substance Name: Sarcotoxin IA protein, Sarcophaga peregrina
RN: 97930-50-2
InChIKey: SPIDLBQKAFAVOG-HTZUFYBVSA-N

Molecular Formulas

  • C181-H308-N60-O52
  • C181-H309-N61-O51

Molecular Weight

  • 4155.8081
 
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Names and Synonyms

Name of Substance

  • Sarcotoxin IA protein, Sarcophaga peregrina

Systematic Name

  • Sarcotoxin IA

Registry Numbers

CAS Registry Number

  • 97930-50-2

System Generated Number

  • 0097930502

Structure Descriptors

InChI

1S/C181H309N61O51/c1-27-88(13)138(237-163(278)109(48-35-39-65-184)223-157(272)108(47-34-38-64-183)225-166(281)119(71-85(7)8)231-167(282)120(218-129(251)76-186)72-102-77-203-105-45-32-31-44-104(102)105)171(286)207-81-130(252)216-107(46-33-37-63-182)156(271)222-110(49-36-40-66-185)164(279)238-140(90(15)29-3)174(289)229-117(57-62-134(256)257)161(276)224-112(52-43-69-202-181(197)198)162(277)235-136(86(9)10)170(285)206-80-131(253)217-114(54-59-125(188)247)159(274)232-121(73-103-78-199-83-208-103)168(283)242-143(100(25)244)177(292)227-111(51-42-68-201-180(195)196)158(273)233-123(75-135(258)259)165(280)212-98(23)152(267)241-144(101(26)245)178(293)239-141(91(16)30-4)175(290)228-113(53-58-124(187)246)153(268)204-79-132(254)219-118(70-84(5)6)154(269)205-82-133(255)234-139(89(14)28-2)173(288)214-96(21)149(264)221-116(56-61-127(190)249)160(275)226-115(55-60-126(189)248)155(270)211-92(17)146(261)209-94(19)150(265)230-122(74-128(191)250)169(284)236-137(87(11)12)172(287)213-93(18)147(262)210-97(22)151(266)240-142(99(24)243)176(291)215-95(20)148(263)220-106(145(192)260)50-41-67-200-179(193)194/h31-32,44-45,77-78,83-101,106-123,136-144,203,243-245H,27-30,33-43,46-76,79-82,182-186H2,1-26H3,(H2,187,246)(H2,188,247)(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,260)(H,199,208)(H,204,268)(H,205,269)(H,206,285)(H,207,286)(H,209,261)(H,210,262)(H,211,270)(H,212,280)(H,213,287)(H,214,288)(H,215,291)(H,216,252)(H,217,253)(H,218,251)(H,219,254)(H,220,263)(H,221,264)(H,222,271)(H,223,272)(H,224,276)(H,225,281)(H,226,275)(H,227,292)(H,228,290)(H,229,289)(H,230,265)(H,231,282)(H,232,274)(H,233,273)(H,234,255)(H,235,277)(H,236,284)(H,237,278)(H,238,279)(H,239,293)(H,240,266)(H,241,267)(H,242,283)(H,256,257)(H,258,259)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/t88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,136-,137-,138-,139-,140-,141-,142-,143-,144-/m0/s1

InChIKey

SPIDLBQKAFAVOG-HTZUFYBVSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CN