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Substance Name: L-Valine, N-(N-(4-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-2,4,5-trideoxy-5-phenyl-L-threo-pentonoyl)-L-isoleucyl)-, methyl ester
RN: 127231-54-3
InChIKey: GGZFLNUBVIMAIO-WJPNVUMISA-N

Molecular Formula

  • C38-H61-N7-O11

Molecular Weight

  • 791.9379
 
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Names and Synonyms

Synonyms

  • (N-(AcetylSerLeuAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl)IleValine methyl ester
  • AcSerLeuAsnPhe(CHOHCH2CO)IleValOMe

Systematic Name

  • L-Valine, N-(N-(4-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-2,4,5-trideoxy-5-phenyl-L-threo-pentonoyl)-L-isoleucyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 127231-54-3

System Generated Number

  • 0127231543

Structure Descriptors

InChI

1S/C38H61N7O11/c1-9-22(6)33(37(54)45-32(21(4)5)38(55)56-8)44-31(50)18-29(48)25(16-24-13-11-10-12-14-24)41-35(52)27(17-30(39)49)43-34(51)26(15-20(2)3)42-36(53)28(19-46)40-23(7)47/h10-14,20-22,25-29,32-33,46,48H,9,15-19H2,1-8H3,(H2,39,49)(H,40,47)(H,41,52)(H,42,53)(H,43,51)(H,44,50)(H,45,54)/t22-,25-,26-,27-,28-,29-,32-,33-/m0/s1

InChIKey

GGZFLNUBVIMAIO-WJPNVUMISA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O