(2E,4E,6E)-N-[(1S)-3-[[(2S)-3-Methyl-1-[(3R,4S)-4-Methyl-2,5-Dioxopyrrolidin-3-Yl]-1-Oxobutan-2-Yl]Amino]-3-Oxo-1-Phenylpropyl]Octa-2,4,6-Trienamide
[CAS# 108868-95-7]

Identification

• Name: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-Methyl-1-[(3R,4S)-4-Methyl-2,5-Dioxopyrrolidin-3-Yl]-1-Oxobutan-2-Yl]Amino]-3-Oxo-1-Phenylpropyl]Octa-2,4,6-Trienamide
• Synonyms: (2E,4E,6E)-N-[(1S)-3-[[(1S)-2-Methyl-1-[(3R,4S)-4-Methyl-2,5-Dioxo-Pyrrolidine-3-Carbonyl]Propyl]Amino]-3-Oxo-1-Phenyl-Propyl]Octa-2,4,6-Trienamide; (2E,4E,6E)-N-[(1S)-3-[[(1S)-2-Methyl-1-[[(3R,4S)-4-Methyl-2,5-Dioxo-3-Pyrrolidinyl]-Oxomethyl]Propyl]Amino]-3-Oxo-1-Phenylpropyl]Octa-2,4,6-Trienamide; (2E,4E,6E)-N-[(1S)-3-[[(1S)-1-[(3R,4S)-2,5-Diketo-4-Methyl-Pyrrolidine-3-Carbonyl]-2-Methyl-Propyl]Amino]-3-Keto-1-Phenyl-Propyl]Octa-2,4,6-Trienamide
• Molecular Formula: C₂₇H₃₃N₃O₅
• Molecular Weight: 479.57
• CAS Registry Number: 108868-95-7
• SMILES: [C@H]1(C(NC([C@H]1C)=O)=O)C([C@@H](NC(C[C@H](NC(/C=C/C=C/C=C/C)=O)C2=CC=CC=C2)=O)C(C)C)=O
• InChI: 1S/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1
• InChIKey: OHDXGZAYYBMHCY-QSUIEZAASA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 795.403°C at 760 mmHg (Cal.)
• Flash point: 234.931°C (Cal.)