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Substance Name: L-Isoleucinamide, 1-((2R,3S)-3-(((2S)-4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl-N-(2-methylpropyl)-
RN: 127749-93-3
InChIKey: HBUSMWQNIFQTTL-VVGPYJCKSA-N

Molecular Formula

  • C37-H54-N6-O7

Molecular Weight

  • 694.8686
 
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Names and Synonyms

Synonyms

  • Benzyloxycarbonyl-AsnPhe(hydroxyethyl)ProIsoleucine-isobutylamide
  • BzOCAsnPhe(CHOHCH2)ProIleNHiBu

Systematic Name

  • L-Isoleucinamide, 1-((2R,3S)-3-(((2S)-4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl-N-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 127749-93-3

System Generated Number

  • 0127749933

Structure Descriptors

InChI

1S/C37H54N6O7/c1-5-25(4)33(36(48)39-21-24(2)3)42-35(47)30-17-12-18-43(30)22-31(44)28(19-26-13-8-6-9-14-26)40-34(46)29(20-32(38)45)41-37(49)50-23-27-15-10-7-11-16-27/h6-11,13-16,24-25,28-31,33,44H,5,12,17-23H2,1-4H3,(H2,38,45)(H,39,48)(H,40,46)(H,41,49)(H,42,47)/t25?,28-,29-,30-,31+,33-/m0/s1

InChIKey

HBUSMWQNIFQTTL-VVGPYJCKSA-N

Smiles

CCC(C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CCCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)OCc3ccccc3)O