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Substance Name: Peptide I (aplysia)
RN: 109050-14-8
InChIKey: IDTVEBPFSIYFKB-XLENUICUSA-N

Molecular Weight

  • 2917.02
 
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Names and Synonyms

  • Peptide I (aplysia)

Registry Numbers

CAS Registry Number

  • 109050-14-8

System Generated Number

  • 0109050148

Structure Descriptors

InChI

1S/C125H190N28O52/c1-53(2)39-71(139-101(178)59(13)133-108(185)75(45-83(129)158)144-118(195)96(131)60(14)155)109(186)137-70(106(183)149-82(52-154)124(201)205-123(200)81(50-92(174)175)148-104(181)67(29-23-24-38-126)136-110(187)73(42-63-25-19-17-20-26-63)140-114(191)78(48-90(170)171)146-121(198)99(61(15)156)152-115(192)72(40-54(3)4)143-117(194)95(130)56(7)8)32-36-93(176)203-122(199)80(41-55(5)6)147-105(182)69(138-112(189)76(46-88(166)167)134-84(159)51-132-119(196)97(57(9)10)150-103(180)66(128)44-87(164)165)33-37-94(177)204-125(202)100(62(16)157)153-116(193)79(49-91(172)173)142-113(190)77(47-89(168)169)141-111(188)74(43-64-27-21-18-22-28-64)145-120(197)98(58(11)12)151-107(184)68(31-35-86(162)163)135-102(179)65(127)30-34-85(160)161/h17-22,25-28,53-62,65-82,95-100,154-157H,23-24,29-52,126-128,130-131H2,1-16H3,(H2,129,158)(H,132,196)(H,133,185)(H,134,159)(H,135,179)(H,136,187)(H,137,186)(H,138,189)(H,139,178)(H,140,191)(H,141,188)(H,142,190)(H,143,194)(H,144,195)(H,145,197)(H,146,198)(H,147,182)(H,148,181)(H,149,183)(H,150,180)(H,151,184)(H,152,192)(H,153,193)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)/t59-,60+,61+,62+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,95-,96-,97-,98-,99-,100-/m0/s1

InChIKey

IDTVEBPFSIYFKB-XLENUICUSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CO)C(=O)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N)N)O