Phenylmethyl (2S)-2-[[2-[[(2S)-2-Amino-4-Methylsulfanylbutyl]Disulfanylmethyl]-3-Phenylpropanoyl]Amino]-3-Phenylpropanoate
[CAS# 135949-60-9]

Identification

• Name: Phenylmethyl (2S)-2-[[2-[[(2S)-2-Amino-4-Methylsulfanylbutyl]Disulfanylmethyl]-3-Phenylpropanoyl]Amino]-3-Phenylpropanoate
• Synonyms: Phenylmethyl (2S)-2-[[2-[[(2S)-2-Amino-4-Methylsulfanyl-Butyl]Disulfanylmethyl]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[2-[[(2S)-2-Amino-4-(Methylthio)Butyl]Disulfanylmethyl]-1-Oxo-3-Phenylpropyl]Amino]-3-Phenylpropanoic Acid Phenylmethyl Ester; (2S)-2-[[2-[[(2S)-2-Amino-4-(Methylthio)Butyl]Disulfanylmethyl]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propionic Acid Benzyl Ester
• Molecular Formula: C₃₁H₃₈N₂O₃S₃
• Molecular Weight: 582.83
• CAS Registry Number: 135949-60-9
• SMILES: [C@@H](NC(=O)C(CC1=CC=CC=C1)CSSC[C@@H](N)CCSC)(C(OCC2=CC=CC=C2)=O)CC3=CC=CC=C3
• InChI: 1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/t27?,28-,29-/m0/s1
• InChIKey: QXXMSEVVNUSHKJ-KEKPXRHTSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 757.475°C at 760 mmHg (Cal.)
• Flash point: 411.906°C (Cal.)