(2S)-2-Amino-5-[[(2R)-2-Amino-3-(3-Oxopropylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 124521-13-7]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-(3-Oxopropylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-(3-Oxopropylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-1-Oxo-3-(3-Oxopropylthio)Propyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-(3-Ketopropylthio)Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₃H₂₁N₃O₇S
• Molecular Weight: 363.38
• CAS Registry Number: 124521-13-7
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSCCC=O
• InChI: 1S/C13H21N3O7S/c14-8(13(22)23)2-3-10(18)16(6-11(19)20)12(21)9(15)7-24-5-1-4-17/h4,8-9H,1-3,5-7,14-15H2,(H,19,20)(H,22,23)/t8-,9-/m0/s1
• InChIKey: YYSYEKODSCLPQB-IUCAKERBSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 666.021°C at 760 mmHg (Cal.)
• Flash point: 356.597°C (Cal.)