2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate
[CAS# 76408-63-4]

Identification

• Name: 2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate
• Synonyms: 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
• Molecular Formula: C₄₂H₅₅N₇O₁₂S₂
• Molecular Weight: 914.06
• CAS Registry Number: 76408-63-4
• EINECS: 278-444-1
• SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc3ccc(N=Nc2ccccc2)cc3
• 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)/t27?,33-,34-,35-,36-/m0/s1
• InChIKey: PSMVBEIEHIATJT-UIUQHOHKSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 1224.985°C at 760 mmHg (Cal.)
• Flash point: 694.646°C (Cal.)