3-[[(2S)-1-[[(5S)-5-Amino-6-Hydroxy-6-Oxohexyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylic Acid
[CAS# 160825-49-0]

Identification

• Name: 3-[[(2S)-1-[[(5S)-5-Amino-6-Hydroxy-6-Oxohexyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylic Acid
• Synonyms: 3-[[(1S)-1-[[(5S)-5-Amino-6-Hydroxy-6-Oxo-Hexyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Oxirane-2-Carboxylic Acid; 3-[[[(1S)-1-[[[(5S)-5-Amino-6-Hydroxy-6-Oxohexyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-2-Oxiranecarboxylic Acid; 3-[[(1S)-1-[[(5S)-5-Amino-6-Hydroxy-6-Keto-Hexyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]Oxirane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₇N₃O₇
• Molecular Weight: 373.41
• CAS Registry Number: 160825-49-0
• SMILES: [C@@H](NC(C1C(C(=O)O)O1)=O)(C(=O)NCCCC[C@@H](C(=O)O)N)CC(C)C
• InChI: 1S/C16H27N3O7/c1-8(2)7-10(19-14(21)11-12(26-11)16(24)25)13(20)18-6-4-3-5-9(17)15(22)23/h8-12H,3-7,17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11?,12?/m0/s1
• InChIKey: ZVGQDSFLALZVNS-JYBOHDQNSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 749.002°C at 760 mmHg (Cal.)
• Flash point: 406.782°C (Cal.)