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Substance Name: Kni 102
RN: 139694-65-8
InChIKey: XCVUOCMQYKSJJR-IGRGDXOOSA-N

Molecular Formula

  • C31-H41-N5-O7

Molecular Weight

  • 595.693
 
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Names and Synonyms

Name of Substance

  • Kni 102

Synonyms

  • 1-(3-(N-alpha-Benzyloxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl)-N-tert-butyl-L-prolinamide
  • Kni-102
  • Rpi 312
  • Z-Asn-apns-pro-NH-t-but
  • Z-Asparaginyl-allophenylnorstatinyl-t-butylproline amide

Systematic Names

  • L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-
  • L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(alphaS,betaS)-beta-amino-alpha-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 139694-65-8

System Generated Number

  • 0139694658

Structure Descriptors

InChI

1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1

InChIKey

XCVUOCMQYKSJJR-IGRGDXOOSA-N

Smiles

C1CC[C@H](N1C([C@H]([C@@H](NC(=O)[C@@H](NC(OCc1ccccc1)=O)CC(N)=O)Cc1ccccc1)O)=O)C(NC(C)(C)C)=O