(2S,3R)-2-Dimethylamino-3-Methyl-N-[(3R,4S,7S)-7-(2-Methylpropyl)-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]Pentanamide
[CAS# 18067-39-5]

Identification

• Name: (2S,3R)-2-Dimethylamino-3-Methyl-N-[(3R,4S,7S)-7-(2-Methylpropyl)-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]Pentanamide
• Synonyms: (2S,3R)-2-Dimethylamino-N-[(3R,4S,7S,10Z)-7-Isobutyl-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-Pentanamide; (2S,3R)-2-Dimethylamino-N-[(3R,4S,7S,10Z)-7-Isobutyl-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methylpentanamide; (2S,3R)-2-Dimethylamino-N-[(3R,4S,7S,10Z)-7-Isobutyl-5,8-Diketo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-Valeramide
• Molecular Formula: C₃₁H₄₂N₄O₄
• Molecular Weight: 534.70
• CAS Registry Number: 18067-39-5
• SMILES: [C@H]1(C(N[C@H](C(N\C=C/C3=CC=C(O[C@@H]1C2=CC=CC=C2)C=C3)=O)CC(C)C)=O)NC([C@@H](N(C)C)[C@@H](CC)C)=O
• InChI: 1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1
• InChIKey: KGRSGRNSVOPQEA-NNQIDPCFSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 784.21°C at 760 mmHg (Cal.)
• Flash point: 428.075°C (Cal.)