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Substance Name: N(alpha)-(1-Adamantanesulfonyl)-N(epsilon)-(4-carboxybenzoyl)lysyl-alanyl-valinal
RN: 97143-05-0
InChIKey: HHBPTDLSSJJCKV-UHFFFAOYSA-N

Molecular Formula

  • C32-H46-N4-O8-S

Molecular Weight

  • 646.801
 
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Names and Synonyms

Name of Substance

  • N(alpha)-(1-Adamantanesulfonyl)-N(epsilon)-(4-carboxybenzoyl)lysyl-alanyl-valinal

Synonyms

  • Ascb-lys-ala-val
  • Ro 31-3537

Systematic Names

  • L-Alaninamide, N6-(4-carboxybenzoyl)-N2-(tricyclo(3.3.1.1(3,7))dec-1-ylsulfonyl)-L-lysyl-N-((1S)-1-formyl-2-methylpropyl)-
  • L-Alaninamide, N6-(4-carboxybenzoyl)-N2-(tricyclo(3.3.1.1(3,7))dec-1-ylsulfonyl)-L-lysyl-N-(1-formyl-2-methylpropyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 97143-05-0

System Generated Number

  • 0097143050

Structure Descriptors

InChI

1S/C32H46N4O8S/c1-19(2)27(18-37)35-28(38)20(3)34-30(40)26(6-4-5-11-33-29(39)24-7-9-25(10-8-24)31(41)42)36-45(43,44)32-15-21-12-22(16-32)14-23(13-21)17-32/h7-10,18-23,26-27,36H,4-6,11-17H2,1-3H3,(H,33,39)(H,34,40)(H,35,38)(H,41,42)

InChIKey

HHBPTDLSSJJCKV-UHFFFAOYSA-N

Smiles

C1C2CC3(CC1CC(C3)C2)S(=O)(N[C@@H](C(N[C@@H](C(=O)N[C@@H](C=O)C(C)C)C)=O)CCCCNC(c1ccc(cc1)C(O)=O)=O)=O