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Substance Name: Somatostatin 20
RN: 90986-55-3
InChIKey: QMSRABAWTBHKNQ-MQGVLZKJSA-N

Note

  • From porcine duodenum; amino-terminally extended somatostatin.

Molecular Formula

  • C107-H159-N31-O27-S2

Molecular Weight

  • 2375.7551
 
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Names and Synonyms

Name of Substance

  • Somatostatin 20

Synonym

  • Somatostatin-20

Systematic Name

  • Somatostatin-20 (swine)

Registry Numbers

CAS Registry Number

  • 90986-55-3

System Generated Number

  • 0090986553

Structure Descriptors

InChI

1S/C107H159N31O27S2/c1-57(111)104(163)138-46-24-38-81(138)101(160)128-71(37-23-45-118-107(115)116)90(149)127-72(39-40-84(144)145)92(151)124-70(36-22-44-117-106(113)114)89(148)123-67(33-16-19-41-108)88(147)121-58(2)87(146)120-53-83(143)122-79-55-166-167-56-80(105(164)165)135-99(158)78(54-139)134-103(162)86(60(4)141)137-98(157)75(49-63-29-12-7-13-30-63)133-102(161)85(59(3)140)136-93(152)69(35-18-21-43-110)125-96(155)76(50-64-52-119-66-32-15-14-31-65(64)66)131-95(154)74(48-62-27-10-6-11-28-62)129-94(153)73(47-61-25-8-5-9-26-61)130-97(156)77(51-82(112)142)132-91(150)68(126-100(79)159)34-17-20-42-109/h5-15,25-32,52,57-60,67-81,85-86,119,139-141H,16-24,33-51,53-56,108-111H2,1-4H3,(H2,112,142)(H,120,146)(H,121,147)(H,122,143)(H,123,148)(H,124,151)(H,125,155)(H,126,159)(H,127,149)(H,128,160)(H,129,153)(H,130,156)(H,131,154)(H,132,150)(H,133,161)(H,134,162)(H,135,158)(H,136,152)(H,137,157)(H,144,145)(H,164,165)(H4,113,114,117)(H4,115,116,118)/t57-,58-,59+,60+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-/m0/s1

InChIKey

QMSRABAWTBHKNQ-MQGVLZKJSA-N

Smiles

C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C)N)[C@@H](C)O