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Substance Name: Somatostatin, des-ala(1)-
RN: 65330-61-2
InChIKey: VTWIKBVRAZCXEL-CFYFTZSGSA-N

Note

  • Active metabolite of somatostatin.

Molecular Formula

  • C73-H99-N17-O18-S2

Molecular Weight

  • 1566.8181
 
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Names and Synonyms

Name of Substance

  • Somatostatin, des-ala(1)-

Synonyms

  • 1-Dealanine-somatostatin
  • 1-Des-ala-somatostatin
  • Somatostatin, dealanine(1)-

Systematic Name

  • Somatostatin (sheep), 1-de-L-alanine-

Registry Numbers

CAS Registry Number

  • 65330-61-2

System Generated Number

  • 0065330612

Structure Descriptors

InChI

1S/C73H99N17O18S2/c1-40(92)60-71(105)86-52(32-44-22-10-5-11-23-44)68(102)90-61(41(2)93)72(106)87-55(37-91)69(103)88-57(73(107)108)39-110-109-38-56(79-59(95)35-76)70(104)81-48(26-14-16-28-74)62(96)85-54(34-58(77)94)67(101)83-50(30-42-18-6-3-7-19-42)64(98)82-51(31-43-20-8-4-9-21-43)65(99)84-53(33-45-36-78-47-25-13-12-24-46(45)47)66(100)80-49(63(97)89-60)27-15-17-29-75/h3-13,18-25,36,40-41,48-57,60-61,78,91-93H,14-17,26-35,37-39,74-76H2,1-2H3,(H2,77,94)(H,79,95)(H,80,100)(H,81,104)(H,82,98)(H,83,101)(H,84,99)(H,85,96)(H,86,105)(H,87,106)(H,88,103)(H,89,97)(H,90,102)(H,107,108)/t40-,41-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,60+,61+/m1/s1

InChIKey

VTWIKBVRAZCXEL-CFYFTZSGSA-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)CN)[C@@H](C)O