(2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Chlorophenyl)Methylsulfanyl]Propanoyl]-[(1R)-2-Hydroxy-2-Oxo-1-Phenylethyl]Amino]-5-Oxopentanoic Acid
[CAS# 152684-55-4]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Chlorophenyl)Methylsulfanyl]Propanoyl]-[(1R)-2-Hydroxy-2-Oxo-1-Phenylethyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Chlorophenyl)Methylsulfanyl]Propanoyl]-[(1R)-2-Hydroxy-2-Oxo-1-Phenyl-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Chlorophenyl)Methylthio]-1-Oxopropyl]-[(1R)-2-Hydroxy-2-Oxo-1-Phenylethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Chlorobenzyl)Thio]Propanoyl]-[(1R)-2-Hydroxy-2-Keto-1-Phenyl-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₃H₂₆ClN₃O₆S
• Molecular Weight: 507.99
• CAS Registry Number: 152684-55-4
• SMILES: [C@@H](C(=O)O)(N(C([C@@H](N)CSCC1=CC=C(C=C1)Cl)=O)C(CC[C@@H](C(=O)O)N)=O)C2=CC=CC=C2
• InChI: 1S/C23H26ClN3O6S/c24-16-8-6-14(7-9-16)12-34-13-18(26)21(29)27(19(28)11-10-17(25)22(30)31)20(23(32)33)15-4-2-1-3-5-15/h1-9,17-18,20H,10-13,25-26H2,(H,30,31)(H,32,33)/t17-,18-,20+/m0/s1
• InChIKey: YUENTQVIQRRGQD-CMKODMSKSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 743.764°C at 760 mmHg (Cal.)
• Flash point: 403.614°C (Cal.)