2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N²-{[(2-methyl-2-propanyl)oxy]carbonyl}-N⁶-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl) -L-cysteinate
[CAS# 76408-69-0]

Identification

• Name: 2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N²-{[(2-methyl-2-propanyl)oxy]carbonyl}-N⁶-{[2-(methylsulfonyl)ethoxy]carbonyl}-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-S-(acetamidomethyl) -L-cysteinate
• Synonyms: l-Cysteine, S-[(acetylamino)methyl]-N-[N-[N-[N-[N-[N2-[(1,1-dimethylethoxy)carbonyl]-N6-[[2-(methylsulfonyl)ethoxy]carbonyl]-l-lysyl]-l-threonyl]-l-phenylalanyl]-l-threonyl]-l-seryl]-, 2-[[[4-(phenylazo)phenyl]methyl]sulfonyl]ethyl ester
• Molecular Formula: C₅₆H₈₀N₁₀O₁₉S₃
• Molecular Weight: 1293.48
• CAS Registry Number: 76408-69-0
• EINECS: 278-448-3
• SMILES: CS(=O)(=O)CCOC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)O)C(=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/C56H80N10O19S3/c1-35(68)46(63-48(71)42(62-55(78)85-56(4,5)6)20-14-15-25-57-54(77)84-26-28-87(7,79)80)51(74)59-43(30-38-16-10-8-11-17-38)49(72)64-47(36(2)69)52(75)60-44(31-67)50(73)61-45(32-86-34-58-37(3)70)53(76)83-27-29-88(81,82)33-39-21-23-41(24-22-39)66-65-40-18-12-9-13-19-40/h8-13,16-19,21-24,35-36,42-47,67-69H,14-15,20,25-34H2,1-7H3,(H,57,77)(H,58,70)(H,59,74)(H,60,75)(H,61,73)(H,62,78)(H,63,71)(H,64,72)/t35?,36?,42-,43-,44-,45-,46-,47-/m0/s1
• InChIKey: DRJOFHYTZQGMQV-GLFHHJNFSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 1539.993°C at 760 mmHg (Cal.)
• Flash point: 885.155°C (Cal.)