(3S)-3-[[(2S)-2-[[(2S)-2-Acetamido-3-Carboxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-[[(1S)-1-Carboxyethyl]Carbamoyl]Propanoic Acid
[CAS# 93620-52-1]

Identification

• Name: (3S)-3-[[(2S)-2-[[(2S)-2-Acetamido-3-Carboxy-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-[[(1S)-1-Carboxyethyl]Carbamoyl]Propanoic Acid
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-Acetamido-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-[[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Acetamido-4-Hydroxy-1,4-Dioxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-
• Molecular Formula: C₁₈H₂₈N₄O₁₀
• Molecular Weight: 460.44
• CAS Registry Number: 93620-52-1
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)CC(=O)O)=O)C(C)C)=O)CC(=O)O)=O)C
• InChI: 1S/C18H28N4O10/c1-7(2)14(22-16(29)10(5-12(24)25)20-9(4)23)17(30)21-11(6-13(26)27)15(28)19-8(3)18(31)32/h7-8,10-11,14H,5-6H2,1-4H3,(H,19,28)(H,20,23)(H,21,30)(H,22,29)(H,24,25)(H,26,27)(H,31,32)/t8-,10-,11-,14-/m0/s1
• InChIKey: BHXJNTBLFUDSSF-AEHQLWAISA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 984.951°C at 760 mmHg (Cal.)
• Flash point: 549.479°C (Cal.)