2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate
[CAS# 76408-60-1]

Identification

• Name: 2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threonyl-L-seryl-S-(acetamidomethyl)-L-cysteinate
• Synonyms: 2-[[[4-(phenylazo)phenyl]methyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[N-(tert-butoxycarbonyl)-L-threonyl]-L-seryl]-L-cysteinate
• Molecular Formula: C₃₃H₄₆N₆O₁₁S₂
• Molecular Weight: 766.88
• CAS Registry Number: 76408-60-1
• EINECS: 278-442-0
• SMILES: CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2
• 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)/t21?,26-,27-,28-/m0/s1
• InChIKey: NLLCZLHRHHXWPP-QFIULHBOSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 1095.003°C at 760 mmHg (Cal.)
• Flash point: 616.036°C (Cal.)