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Substance Name: L-Valine, N-(N-(4-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-3-hydroxy-6-methyl-1-oxoheptyl)-L-isoleucyl)-, methyl ester, (S-(R*,R*))-
RN: 127231-52-1
InChIKey: XWTJFLQWGRKTRQ-JIYBXTARSA-N

Molecular Formula

  • C35-H63-N7-O11

Molecular Weight

  • 757.9207
 
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Names and Synonyms

Synonyms

  • (N-(AcetylSerLeuAsn)-4-amino-3-hydroxy-6-methyl-1-oxo-heptyl)IleValine methyl ester
  • AcSerLeuAsnSta(CHOHCH2)IleValOMe

Systematic Name

  • L-Valine, N-(N-(4-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-3-hydroxy-6-methyl-1-oxoheptyl)-L-isoleucyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 127231-52-1

System Generated Number

  • 0127231521

Structure Descriptors

InChI

1S/C35H63N7O11/c1-11-20(8)30(34(51)42-29(19(6)7)35(52)53-10)41-28(47)15-26(45)22(12-17(2)3)38-32(49)24(14-27(36)46)40-31(48)23(13-18(4)5)39-33(50)25(16-43)37-21(9)44/h17-20,22-26,29-30,43,45H,11-16H2,1-10H3,(H2,36,46)(H,37,44)(H,38,49)(H,39,50)(H,40,48)(H,41,47)(H,42,51)/t20-,22-,23-,24-,25-,26-,29-,30-/m0/s1

InChIKey

XWTJFLQWGRKTRQ-JIYBXTARSA-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](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O