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Substance Name: Cyclo(cysteinyl-tyrosyl-norleucyl-glycyl-tryptophyl-cysteinyl)-aspartyl-phenylalaninamide
RN: 111897-98-4
InChIKey: KKASRWGMHPWOCB-FCNDXCBGSA-N

Note

  • Non-sulfated cpd exhibits opioid antagonist activity in vitro; sulfated cpd is sulfated at Cys and Tyr amino acid group.

Molecular Weight

  • 1003.1662
 
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Names and Synonyms

Name of Substance

  • Cyclo(cysteinyl-tyrosyl-norleucyl-glycyl-tryptophyl-cysteinyl)-aspartyl-phenylalaninamide

Synonyms

  • Cyclo(cys-tyr-nle-gly-trp-cys)-asp-phe-NH2
  • Es1
  • Sulfated ES1

Registry Numbers

CAS Registry Number

  • 111897-98-4

System Generated Number

  • 0111897984

Structure Descriptors

InChI

1S/C47H58N10O11S2/c1-2-3-12-33(53-44(65)35(55-42(63)31(48)24-69)19-27-14-16-29(58)17-15-27)43(64)51-23-39(59)52-36(20-28-22-50-32-13-8-7-11-30(28)32)45(66)57-38(25-70)47(68)56-37(21-40(60)61)46(67)54-34(41(49)62)18-26-9-5-4-6-10-26/h4-11,13-17,22,25,31,33-38,50,58,69H,2-3,12,18-21,23-24,48H2,1H3,(H2,49,62)(H,51,64)(H,52,59)(H,53,65)(H,54,67)(H,55,63)(H,56,68)(H,57,66)(H,60,61)/t31-,33-,34-,35-,36-,37-,38-/m0/s1

InChIKey

KKASRWGMHPWOCB-FCNDXCBGSA-N

Smiles

CCCC[C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C=S)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CS)N