(2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Methylphenyl)Methylsulfanyl]Propanoyl]-(2-Carboxyethyl)Amino]-5-Oxopentanoic Acid
[CAS# 152684-54-3]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Methylphenyl)Methylsulfanyl]Propanoyl]-(2-Carboxyethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Methylphenyl)Methylsulfanyl]Propanoyl]-(2-Carboxyethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Methylphenyl)Methylthio]-1-Oxopropyl]-(2-Carboxyethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(4-Methylbenzyl)Thio]Propanoyl]-(2-Carboxyethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₉H₂₇N₃O₆S
• Molecular Weight: 425.50
• CAS Registry Number: 152684-54-3
• SMILES: [C@H](C(N(CCC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSCC1=CC=C(C=C1)C
• InChI: 1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(21)18(26)22(9-8-17(24)25)16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20-21H2,1H3,(H,24,25)(H,27,28)/t14-,15-/m0/s1
• InChIKey: CBPVERYFFKJNMB-GJZGRUSLSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 689.19°C at 760 mmHg (Cal.)
• Flash point: 370.609°C (Cal.)