Benzyl N-[6,19-Bis(Acetamidomethylsulfanylmethyl)-9,22-Dimethyl-2,5,8, 11,15,18,21,24-Octaoxo-25-Phenylmethoxycarbonylamino-3,16-Dipropyl-1,1 4-Dioxa-4,7,10,17,20,23-Hexazacyclohexacos-12-Yl]Carbamate
[CAS# 63519-99-3]

Identification

• Name: Benzyl N-[6,19-Bis(Acetamidomethylsulfanylmethyl)-9,22-Dimethyl-2,5,8, 11,15,18,21,24-Octaoxo-25-Phenylmethoxycarbonylamino-3,16-Dipropyl-1,1 4-Dioxa-4,7,10,17,20,23-Hexazacyclohexacos-12-Yl]Carbamate
• Synonyms: N-[6,19-Bis[(Acetamidomethylthio)Methyl]-9,22-Dimethyl-2,5,8,11,15,18,21,24-Octaoxo-25-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3,16-Dipropyl-1,14-Dioxa-4,7,10,17,20,23-Hexazacyclohexacos-12-Yl]Carbamic Acid Phenylmethyl Ester; N-[6,19-Bis[(Acetamidomethylthio)Methyl]-25-(Benzyloxycarbonylamino)-2,5,8,11,15,18,21,24-Octaketo-9,22-Dimethyl-3,16-Dipropyl-1,14-Dioxa-4,7,10,17,20,23-Hexazacyclohexacos-12-Yl]Carbamic Acid Benzyl Ester; L-Valine, N-((Phenylmethoxy)Carbonyl)-D-Seryl-L-Alanyl-S-((Acetylamino)Methyl)-L-Cysteinyl-, Bimol. (4->1'),(4'->1)-Dilactone
• Molecular Formula: C₅₀H₇₀N₁₀O₁₆S₂
• Molecular Weight: 1131.28
• CAS Registry Number: 63519-99-3
• SMILES: C3=C(COC(=O)NC2C(=O)NC(C(=O)NC(C(=O)NC(C(OCC(NC(OCC1=CC=CC=C1)=O)C(=O)NC(C(=O)NC(C(=O)NC(C(OC2)=O)CCC)CSCNC(=O)C)C)=O)CCC)CSCNC(=O)C)C)C=CC=C3
• InChI: 1S/C50H70N10O16S2/c1-7-15-35-47(69)73-23-37(59-49(71)75-21-33-17-11-9-12-18-33)43(65)53-30(4)42(64)58-40(26-78-28-52-32(6)62)46(68)56-36(16-8-2)48(70)74-24-38(60-50(72)76-22-34-19-13-10-14-20-34)44(66)54-29(3)41(63)57-39(45(67)55-35)25-77-27-51-31(5)61/h9-14,17-20,29-30,35-40H,7-8,15-16,21-28H2,1-6H3,(H,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,67)(H,56,68)(H,57,63)(H,58,64)(H,59,71)(H,60,72)
• InChIKey: RGTJWMOWQIGAOK-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 1507.384°C at 760 mmHg (Cal.)
• Flash point: 865.434°C (Cal.)