(2S)-5-Amino-2-[[(1R,2S)-1-[(3S,5S)-3,5-Dimethoxy-2-Methyl-6-Oxo-1-Cyclohexenyl]-1-Hydroxypropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 129421-88-1]

Identification

• Name: (2S)-5-Amino-2-[[(1R,2S)-1-[(3S,5S)-3,5-Dimethoxy-2-Methyl-6-Oxo-1-Cyclohexenyl]-1-Hydroxypropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-5-Amino-2-[[(1S,2R)-2-[(3S,5S)-3,5-Dimethoxy-2-Methyl-6-Oxo-1-Cyclohexenyl]-2-Hydroxy-1-Methyl-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-5-Amino-2-[[(1S,2R)-2-[(3S,5S)-3,5-Dimethoxy-2-Methyl-6-Oxo-1-Cyclohexenyl]-2-Hydroxy-1-Methylethyl]Amino]-5-Oxopentanoic Acid; (2S)-5-Amino-2-[[(1S,2R)-2-Hydroxy-2-[(3S,5S)-6-Keto-3,5-Dimethoxy-2-Methyl-1-Cyclohexenyl]-1-Methyl-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₇H₂₈N₂O₇
• Molecular Weight: 372.42
• CAS Registry Number: 129421-88-1
• SMILES: [C@H](C(=O)O)(N[C@H]([C@H](O)C1=C([C@H](C[C@@H](C1=O)OC)OC)C)C)CCC(=O)N
• InChI: 1S/C17H28N2O7/c1-8-11(25-3)7-12(26-4)16(22)14(8)15(21)9(2)19-10(17(23)24)5-6-13(18)20/h9-12,15,19,21H,5-7H2,1-4H3,(H2,18,20)(H,23,24)/t9-,10-,11-,12-,15-/m0/s1
• InChIKey: DNQMKRSRCGKQNN-VSBZFQJLSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 662.359°C at 760 mmHg (Cal.)
• Flash point: 354.382°C (Cal.)