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Substance Name: alpha-Cobratoxin (1-24) amide
RN: 147710-70-1
InChIKey: OAARQAUDDDPCGP-MNNIBNJWSA-N

Note

  • Consists of amino terminal loop.

Molecular Formula

  • C105-H162-N32-O39-S2

Molecular Weight

  • 2710.1425
 
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Names and Synonyms

Name of Substance

  • alpha-Cobratoxin (1-24) amide

Synonym

  • Acta (1-24)

Systematic Name

  • L-Tyrosinamide, L-leucyl-L-alpha-glutamyl-L-cysteinyl-L-histidyl-L-asparaginyl-L-glutaminyl-L-glutaminyl-L-seryl-L-glutaminyl-L-prolyl-L-threonyl-L-threonyl-L-lysyl-L-threonyl-L-seryl-L-prolylglycyl-L-alpha-glutamyl-L-threonyl-L-asparginyl-L-cysteinyl-, cyclic (3-22)-disulfide

Registry Numbers

CAS Registry Number

  • 147710-70-1

System Generated Number

  • 0147710701

Structure Descriptors

InChI

1S/C117H185N33O35S3/c1-13-56(6)86(121)109(178)131-69(30-23-39-126-117(123)124)97(166)140-78-52-187-188-53-79(106(175)134-71(43-64-33-35-66(156)36-34-64)101(170)146-91(60(10)153)113(182)132-68(29-20-22-38-119)98(167)145-90(59(9)152)94(122)163)141-110(179)87(55(4)5)142-102(171)72(44-65-48-125-54-128-65)129-83(158)49-127-95(164)73(45-82(120)157)136-107(176)80-31-24-40-149(80)115(184)77(51-186)139-99(168)74(46-84(159)160)135-96(165)67(28-19-21-37-118)130-104(173)76(50-151)138-114(183)92(61(11)154)147-111(180)88(57(7)14-2)144-103(172)75(47-85(161)162)137-108(177)81-32-25-41-150(81)116(185)93(62(12)155)148-112(181)89(58(8)15-3)143-100(169)70(133-105(78)174)42-63-26-17-16-18-27-63/h16-18,26-27,33-36,48,54-62,67-81,86-93,151-156,186H,13-15,19-25,28-32,37-47,49-53,118-119,121H2,1-12H3,(H2,120,157)(H2,122,163)(H,125,128)(H,127,164)(H,129,158)(H,130,173)(H,131,178)(H,132,182)(H,133,174)(H,134,175)(H,135,165)(H,136,176)(H,137,177)(H,138,183)(H,139,168)(H,140,166)(H,141,179)(H,142,171)(H,143,169)(H,144,172)(H,145,167)(H,146,170)(H,147,180)(H,148,181)(H,159,160)(H,161,162)(H4,123,124,126)/t56-,57-,58-,59+,60+,61+,62+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-,87-,88-,89-,90-,91-,92-,93-/m0/s1

InChIKey

OAARQAUDDDPCGP-MNNIBNJWSA-N

Smiles

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc5ccccc5)NC1=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N