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Substance Name: Ass 51
RN: 150747-52-7
InChIKey: NJVMKJXFXIAJHE-UHFFFAOYSA-N

Molecular Formula

  • C45-H64-N8-O9-S2

Molecular Weight

  • 925.18
 
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Names and Synonyms

Name of Substance

  • Ass 51

Synonym

  • Ass-51

Systematic Name

  • L-Cysteinamide, N- ((1-mercaptocyclohexyl)acetyl)-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)-, cyclic (1-5)-disulfide

Registry Numbers

CAS Registry Number

  • 150747-52-7

System Generated Number

  • 0150747527

Structure Descriptors

InChI

1S/C45H64N8O9S2/c1-28(56)38-43(62)51-36(42(61)53-44(2,26-54)27-55)25-63-64-45(18-10-4-11-19-45)23-37(57)48-34(21-29-13-5-3-6-14-29)40(59)50-35(22-30-24-47-32-16-8-7-15-31(30)32)41(60)49-33(39(58)52-38)17-9-12-20-46/h3,5-8,13-16,24,28,33-36,38,47,54-56H,4,9-12,17-23,25-27,46H2,1-2H3,(H,48,57)(H,49,60)(H,50,59)(H,51,62)(H,52,58)(H,53,61)

InChIKey

NJVMKJXFXIAJHE-UHFFFAOYSA-N

Smiles

c1(C[C@@H]2C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(=O)NC(CO)(C)CO)CSSC3(CC(=O)N2)CCCCC3)=O)[C@@H](O)C)=O)CCCCN)=O)Cc2c[nH]c3c2cccc3)=O)ccccc1