2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(4-methoxybenzyl)oxy]carbonyl}-L-seryl-S-(acetamidomethyl)-L-cysteinate
[CAS# 84712-94-7]

Identification

• Name: 2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-{[(4-methoxybenzyl)oxy]carbonyl}-L-seryl-S-(acetamidomethyl)-L-cysteinate
• Synonyms: 2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[(4-methoxybenzyloxy)carbonyl]-L-seryl]-L-cysteinate
• Molecular Formula: C₃₃H₃₉N₅O₁₀S₂
• Molecular Weight: 729.82
• CAS Registry Number: 84712-94-7
• EINECS: 283-784-9
• SMILES: COc3ccc(COC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2)cc3
• InChI: 1S/C33H39N5O10S2/c1-23(40)34-22-49-20-30(35-31(41)29(18-39)36-33(43)48-19-24-10-14-28(46-2)15-11-24)32(42)47-16-17-50(44,45)21-25-8-12-27(13-9-25)38-37-26-6-4-3-5-7-26/h3-15,29-30,39H,16-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,43)/t29-,30-/m0/s1
• InChIKey: GQZHICGELIJFBG-KYJUHHDHSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 1039.581°C at 760 mmHg (Cal.)
• Flash point: 582.518°C (Cal.)