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Substance Name: Somatostatin acetate
RN: 54472-66-1
UNII: F6R2N217HS
InChIKey: GFYNCDIZASLOMM-HMAILDBGSA-N

Molecular Formula

  • C76-H104-N18-O19-S2.C2-H4-O2

Molecular Weight

  • 1697.9482
 
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Names and Synonyms

Name of Substance

  • Somatostatin acetate

Synonyms

  • Ala-gly-cys-lys-asn-phe-phe-trp-lys-thr-phe-thr-ser-cys acetate
  • Somatostatin acetate
  • Somatostatin monoacetate
  • UNII-F6R2N217HS

Registry Numbers

CAS Registry Number

  • 54472-66-1

FDA UNII

  • F6R2N217HS

System Generated Number

  • 0054472661

Structure Descriptors

InChI

1S/C76H104N18O19S2.C2H4O2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77;1-2(3)4/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113);1H3,(H,3,4)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-;/m0./s1

InChIKey

GFYNCDIZASLOMM-HMAILDBGSA-N

Smiles

C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)Cc6ccccc6)O.CC(=O)O