N-(3-Amino-2-Hydroxy-5-Methyl-1-Oxohexyl)-L-Valyl-L-Valyl-L-Aspartic Acid
[CAS# 69400-55-1]

Identification

• Name: N-(3-Amino-2-Hydroxy-5-Methyl-1-Oxohexyl)-L-Valyl-L-Valyl-L-Aspartic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-Amino-2-Hydroxy-5-Methyl-Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-Amino-2-Hydroxy-5-Methyl-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-Amino-2-Hydroxy-5-Methyl-Hexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]Succinic Acid
• Molecular Formula: C₂₁H₃₈N₄O₈
• Molecular Weight: 474.55
• CAS Registry Number: 69400-55-1
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@H](N)CC(C)C)C(C)C)(C(=O)N[C@H](C(=O)O)CC(=O)O)C(C)C
• InChI: 1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1
• InChIKey: QFAADIRHLBXJJS-ZAZJUGBXSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 795.101°C at 760 mmHg (Cal.)
• Flash point: 434.662°C (Cal.)