2-[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]-(Carboxymethyl)Amino]-3-Oxopropyl]Sulfanylbutanedioic Acid
[CAS# 1115-52-2]

Identification

• Name: 2-[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]-(Carboxymethyl)Amino]-3-Oxopropyl]Sulfanylbutanedioic Acid
• Synonyms: 2-[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-(Carboxymethyl)Amino]-3-Oxo-Propyl]Sulfanylbutanedioic Acid; 2-[[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]-(Carboxymethyl)Amino]-3-Oxopropyl]Thio]Butanedioic Acid; 2-[[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]-(Carboxymethyl)Amino]-3-Keto-Propyl]Thio]Succinic Acid
• Molecular Formula: C₁₄H₂₁N₃O₁₀S
• Molecular Weight: 423.39
• CAS Registry Number: 1115-52-2
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSC(CC(=O)O)C(=O)O
• InChI: 1S/C14H21N3O10S/c15-6(13(24)25)1-2-9(18)17(4-11(21)22)12(23)7(16)5-28-8(14(26)27)3-10(19)20/h6-8H,1-5,15-16H2,(H,19,20)(H,21,22)(H,24,25)(H,26,27)/t6-,7-,8?/m0/s1
• InChIKey: NXXXUJKQMOMDMS-WPZUCAASSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 737.212°C at 760 mmHg (Cal.)
• Flash point: 399.652°C (Cal.)