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Substance Name: L-Valine, N-(N-(2,4,5-trideoxy-4-((N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-leucyl)-L-asparaginyl)amino)-5-phenyl-L-threo-pentonoyl)-L-isoleucyl)-, methyl ester
RN: 127231-53-2
InChIKey: RZTOBLXFOIFPNA-CWIYOQQCSA-N

Molecular Formula

  • C41-H67-N7-O12

Molecular Weight

  • 850.0173
 
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Names and Synonyms

Synonyms

  • (N-(tert-ButyloxycarbonylSerLeuAsn)-4-amino-3-hydroxy-1-oxo-5-phenylpentyl)IleValine methyl ester
  • BOCSerLeuAsnPhe(CHOHCH2CO)IleValOMe

Systematic Name

  • L-Valine, N-(N-(2,4,5-trideoxy-4-((N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-leucyl)-L-asparaginyl)amino)-5-phenyl-L-threo-pentonoyl)-L-isoleucyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 127231-53-2

System Generated Number

  • 0127231532

Structure Descriptors

InChI

1S/C41H67N7O12/c1-11-24(6)34(38(56)48-33(23(4)5)39(57)59-10)47-32(52)20-30(50)26(18-25-15-13-12-14-16-25)43-36(54)28(19-31(42)51)45-35(53)27(17-22(2)3)44-37(55)29(21-49)46-40(58)60-41(7,8)9/h12-16,22-24,26-30,33-34,49-50H,11,17-21H2,1-10H3,(H2,42,51)(H,43,54)(H,44,55)(H,45,53)(H,46,58)(H,47,52)(H,48,56)/t24-,26-,27-,28-,29-,30-,33-,34-/m0/s1

InChIKey

RZTOBLXFOIFPNA-CWIYOQQCSA-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)OC(C)(C)C)O