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Substance Name: 2-(((4-(Phenylazo)phenyl)methyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-(N-(tert-butoxycarbonyl)-L-threonyl)-L-seryl)-L-cysteinate
RN: 76408-60-1
InChIKey: NLLCZLHRHHXWPP-YKOLFLIDSA-N

Molecular Formula

  • C33-H46-N6-O11-S2

Molecular Weight

  • 766.8894
 
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Names and Synonyms

Synonym

  • EINECS 278-442-0

Systematic Name

  • 2-(((4-(Phenylazo)phenyl)methyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-(N-(tert-butoxycarbonyl)-L-threonyl)-L-seryl)-L-cysteinate

Registry Numbers

CAS Registry Number

  • 76408-60-1

System Generated Number

  • 0076408601

Structure Descriptors

InChI

1S/C33H46N6O11S2/c1-21(41)28(37-32(46)50-33(3,4)5)30(44)35-26(17-40)29(43)36-27(18-51-20-34-22(2)42)31(45)49-15-16-52(47,48)19-23-11-13-25(14-12-23)39-38-24-9-7-6-8-10-24/h6-14,21,26-28,40-41H,15-20H2,1-5H3,(H,34,42)(H,35,44)(H,36,43)(H,37,46)/b39-38+/t21-,26+,27+,28+/m1/s1

InChIKey

NLLCZLHRHHXWPP-YKOLFLIDSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(=O)C)C(=O)OCCS(=O)(=O)Cc1ccc(cc1)/N=N/c2ccccc2)NC(=O)OC(C)(C)C)O