(2S)-2-Amino-5-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-3-Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 105644-04-0]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]Amino]-3-Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-3-Sulfanyl-Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-3-Mercapto-1-Oxopropyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-Mercapto-Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₅H₂₄N₄O₉S
• Molecular Weight: 436.44
• CAS Registry Number: 105644-04-0
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)N(C(=O)CC[C@H](N)C(=O)O)CC(=O)O)CS
• InChI: 1S/C15H24N4O9S/c16-7(14(25)26)1-3-10(20)18-9(6-29)13(24)19(5-12(22)23)11(21)4-2-8(17)15(27)28/h7-9,29H,1-6,16-17H2,(H,18,20)(H,22,23)(H,25,26)(H,27,28)/t7-,8-,9-/m0/s1
• InChIKey: XDAXHUZFBOCXBP-CIUDSAMLSA-N

Properties

• Density: 1.505g/cm³ (Cal.)
• Boiling point: 837.47°C at 760 mmHg (Cal.)
• Flash point: 460.286°C (Cal.)