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Substance Name: Conopressin S
RN: 111317-90-9
InChIKey: VXIFAUSRCYILTD-FMWAODGFSA-N

Molecular Formula

  • C41-H73-N17-O10-S2

Molecular Weight

  • 1028.27
 
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Names and Synonyms

Results Name

  • Conopressin S

Synonyms

  • Conopressin A1
  • Conopressin S

Systematic Name

  • Glycinamide, L-cysteinyl-L-isoleucyl-L-isoleucyl-L-arginyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-, cyclic (1-6)-disulfide

Registry Numbers

CAS Registry Number

  • 111317-90-9

System Generated Number

  • 0111317909

Structure Descriptors

InChI

1S/C41H73N17O10S2/c1-5-20(3)30-37(66)53-24(11-8-14-50-41(47)48)34(63)54-25(16-28(43)59)35(64)55-26(19-70-69-18-22(42)32(61)56-31(21(4)6-2)38(67)57-30)39(68)58-15-9-12-27(58)36(65)52-23(10-7-13-49-40(45)46)33(62)51-17-29(44)60/h20-27,30-31H,5-19,42H2,1-4H3,(H2,43,59)(H2,44,60)(H,51,62)(H,52,65)(H,53,66)(H,54,63)(H,55,64)(H,56,61)(H,57,67)(H4,45,46,49)(H4,47,48,50)/t20-,21-,22-,23-,24-,25-,26-,27-,30?,31-/m0/s1

InChIKey

VXIFAUSRCYILTD-FMWAODGFSA-N

Smiles

C(CCNC(N)=N)[C@H](NC([C@@H]1CCCN1C([C@@H]1CSSC[C@H](N)C(=O)N[C@H](C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N1)=O)CC(N)=O)=O)=O)=O)[C@@H](C)CC)=O)=O)C(NCC(N)=O)=O