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Substance Name: 2-(((4-(Phenylazo)phenyl)methyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-(N-(N-(tert-butoxycarbonyl)-3-phenyl-L-alanyl)-L-threonyl)-L-seryl)-L-cysteinate
RN: 76408-63-4
InChIKey: PSMVBEIEHIATJT-DURJHRRESA-N

Molecular Formula

  • C42-H55-N7-O12-S2

Molecular Weight

  • 914.0655
 
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Names and Synonyms

Synonym

  • EINECS 278-444-1

Systematic Name

  • 2-(((4-(Phenylazo)phenyl)methyl)sulphonyl)ethyl S-(acetamidomethyl)-N-(N-(N-(N-(tert-butoxycarbonyl)-3-phenyl-L-alanyl)-L-threonyl)-L-seryl)-L-cysteinate

Registry Numbers

CAS Registry Number

  • 76408-63-4

System Generated Number

  • 0076408634

Structure Descriptors

InChI

1S/C42H55N7O12S2/c1-27(51)36(47-37(53)33(22-29-12-8-6-9-13-29)46-41(57)61-42(3,4)5)39(55)44-34(23-50)38(54)45-35(24-62-26-43-28(2)52)40(56)60-20-21-63(58,59)25-30-16-18-32(19-17-30)49-48-31-14-10-7-11-15-31/h6-19,27,33-36,50-51H,20-26H2,1-5H3,(H,43,52)(H,44,55)(H,45,54)(H,46,57)(H,47,53)/b49-48+/t27-,33+,34+,35+,36+/m1/s1

InChIKey

PSMVBEIEHIATJT-DURJHRRESA-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)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O