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Substance Name: D,D-Carbasomatostatin
RN: 59983-96-9
InChIKey: CCWNWQAFNNLKTG-UHFFFAOYSA-N

Molecular Formula

  • C78-H108-N18-O19

Molecular Weight

  • 1601.8182
 
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Names and Synonyms

Name of Substance

  • D,D-Carbasomatostatin

Synonym

  • Somatostatin SS-1

Systematic Name

  • Growth hormone-release inhibiting factor (sheep reduced), 3-(L-threo-2,7-diaminooctanedioic acid)-14-de-L-cysteine-, cyclic (13-3)-peptide

Registry Numbers

CAS Registry Number

  • 59983-96-9

System Generated Number

  • 0059983969

Structure Descriptors

InChI

1S/C78H108N18O19/c1-43(81)66(102)84-41-63(101)85-52-29-15-16-32-55(78(114)115)88-75(111)61(42-97)94-77(113)65(45(3)99)96-74(110)58(37-48-25-11-6-12-26-48)93-76(112)64(44(2)98)95-69(105)54(31-18-20-34-80)87-72(108)59(38-49-40-83-51-28-14-13-27-50(49)51)91-71(107)57(36-47-23-9-5-10-24-47)89-70(106)56(35-46-21-7-4-8-22-46)90-73(109)60(39-62(82)100)92-68(104)53(86-67(52)103)30-17-19-33-79/h4-14,21-28,40,43-45,52-61,64-65,83,97-99H,15-20,29-39,41-42,79-81H2,1-3H3,(H2,82,100)(H,84,102)(H,85,101)(H,86,103)(H,87,108)(H,88,111)(H,89,106)(H,90,109)(H,91,107)(H,92,104)(H,93,112)(H,94,113)(H,95,105)(H,96,110)(H,114,115)

InChIKey

CCWNWQAFNNLKTG-UHFFFAOYSA-N

Smiles

CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)Cc5ccccc5)CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)Cc6ccccc6)O