N-(2-Amino-3-((2-amino-3-((1-carboxy-2-phenylethyl)amino)-3-oxopropyl)dithio)propanoyl)phenylalanine
[CAS# 62130-80-7]

Identification

• Name: N-(2-Amino-3-((2-amino-3-((1-carboxy-2-phenylethyl)amino)-3-oxopropyl)dithio)propanoyl)phenylalanine
• Synonyms: 2-[[2-Amino-3-[2-Amino-3-[[2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-Oxo-Propyl]Disulfanyl-Propanoyl]Amino]-3-Phenyl-Propanoic Acid; 2-[[2-Amino-3-[2-Amino-3-[[2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-Oxopropyl]Disulfanyl-1-Oxopropyl]Amino]-3-Phenylpropanoic Acid; 2-[[2-Amino-3-[2-Amino-3-[[1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]-3-Keto-Propyl]Disulfanyl-Propanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₄H₃₀N₄O₆S₂
• Molecular Weight: 534.64
• CAS Registry Number: 62130-80-7
• SMILES: C1=CC=CC=C1CC(NC(C(CSSCC(C(NC(CC2=CC=CC=C2)C(O)=O)=O)N)N)=O)C(O)=O
• InChI: 1S/C24H30N4O6S2/c25-17(21(29)27-19(23(31)32)11-15-7-3-1-4-8-15)13-35-36-14-18(26)22(30)28-20(24(33)34)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14,25-26H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
• InChIKey: DVUJPPNUQZDHNF-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 861.201°C at 760 mmHg (Cal.)
• Flash point: 474.638°C (Cal.)