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Substance Name: L-Isoleucinamide, 1-(2-hydroxy-4-phenyl-3-((N2-(N-((phenylmethoxy)carbonyl)-L-leucyl)-L-asparaginyl)amino)butyl)-L-prolyl-N-(2-methylpropyl)-, (R-(R*,S*))-
RN: 127749-94-4
InChIKey: NVMCQDQUCMEQEH-MFXWWUJKSA-N

Molecular Formula

  • C43-H65-N7-O8

Molecular Weight

  • 808.0275
 
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Names and Synonyms

Synonyms

  • Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)ProIsoleucine-isobutylamide
  • BzOCLeuAsnPhe(CHOHCH2)ProIleNHiBu

Systematic Name

  • L-Isoleucinamide, 1-(2-hydroxy-4-phenyl-3-((N2-(N-((phenylmethoxy)carbonyl)-L-leucyl)-L-asparaginyl)amino)butyl)-L-prolyl-N-(2-methylpropyl)-, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 127749-94-4

System Generated Number

  • 0127749944

Structure Descriptors

InChI

1S/C43H65N7O8/c1-7-29(6)38(42(56)45-24-28(4)5)49-41(55)35-19-14-20-50(35)25-36(51)32(22-30-15-10-8-11-16-30)46-40(54)34(23-37(44)52)47-39(53)33(21-27(2)3)48-43(57)58-26-31-17-12-9-13-18-31/h8-13,15-18,27-29,32-36,38,51H,7,14,19-26H2,1-6H3,(H2,44,52)(H,45,56)(H,46,54)(H,47,53)(H,48,57)(H,49,55)/t29-,32-,33-,34-,35-,36+,38-/m0/s1

InChIKey

NVMCQDQUCMEQEH-MFXWWUJKSA-N

Smiles

CC[C@H](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)[C@H](CC(C)C)NC(=O)OCc3ccccc3)O