(Phenylmethoxy)Carbonylcysteinyl(Phenylmethyl)-Tyrosyl-Isoleucine Tert-Butyl Ester
[CAS# 52668-03-8]

Identification

• Name: (Phenylmethoxy)Carbonylcysteinyl(Phenylmethyl)-Tyrosyl-Isoleucine Tert-Butyl Ester
• Synonyms: Tert-Butyl (2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2R)-2-(Phenylmethoxycarbonylamino)-3-(Phenylmethylsulfanyl)Propanoyl]Amino]Propanoyl]Amino]-3-Methyl-Pentanoate; (2S,3S)-2-[[(2S)-3-(4-Hydroxyphenyl)-1-Oxo-2-[[(2R)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-(Phenylmethylthio)Propyl]Amino]Propyl]Amino]-3-Methylpentanoic Acid Tert-Butyl Ester; (2S,3S)-2-[[(2S)-2-[[(2R)-2-(Benzyloxycarbonylamino)-3-(Benzylthio)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Valeric Acid Tert-Butyl Ester
• Molecular Formula: C₃₇H₄₇N₃O₇S
• Molecular Weight: 677.85
• CAS Registry Number: 52668-03-8
• SMILES: [C@H](C(N[C@H](C(N[C@H](C(OC(C)(C)C)=O)[C@H](CC)C)=O)CC1=CC=C(C=C1)O)=O)(NC(=O)OCC2=CC=CC=C2)CSCC3=CC=CC=C3
• InChI: 1S/C37H47N3O7S/c1-6-25(2)32(35(44)47-37(3,4)5)40-33(42)30(21-26-17-19-29(41)20-18-26)38-34(43)31(24-48-23-28-15-11-8-12-16-28)39-36(45)46-22-27-13-9-7-10-14-27/h7-20,25,30-32,41H,6,21-24H2,1-5H3,(H,38,43)(H,39,45)(H,40,42)/t25-,30-,31-,32-/m0/s1
• InChIKey: BYWIJKHLRLGPGA-ACRCOBMYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 879.433°C at 760 mmHg (Cal.)
• Flash point: 485.664°C (Cal.)