(2S,3R)-N-[(3R,4S,7S)-7-Benzoyl-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]-2-(Dimethylamino)-3-Methylpentanamide
[CAS# 21761-48-8]

Identification

• Name: (2S,3R)-N-[(3R,4S,7S)-7-Benzoyl-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]-2-(Dimethylamino)-3-Methylpentanamide
• Synonyms: (2S,3S)-N-[(3R,4S,7S,10Z)-7-(Benzoyl)-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-2-Dimethylamino-3-Methyl-Pentanamide; (2S,3S)-2-Dimethylamino-N-[(3R,4S,7S,10Z)-5,8-Dioxo-7-(Oxo-Phenylmethyl)-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methylpentanamide; (2S,3S)-N-[(3R,4S,7S,10Z)-7-(Benzoyl)-5,8-Diketo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-2-Dimethylamino-3-Methyl-Valeramide
• Molecular Formula: C₃₄H₃₈N₄O₅
• Molecular Weight: 582.70
• CAS Registry Number: 21761-48-8
• SMILES: [C@@H]([C@H](N(C)C)C(=O)N[C@H]2[C@H](OC1=CC=C(C=C1)\C=C/NC(=O)[C@@H](NC2=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)(CC)C
• InChI: 1S/C34H38N4O5/c1-5-22(2)29(38(3)4)34(42)37-28-31(25-14-10-7-11-15-25)43-26-18-16-23(17-19-26)20-21-35-32(40)27(36-33(28)41)30(39)24-12-8-6-9-13-24/h6-22,27-29,31H,5H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/b21-20-/t22-,27-,28-,29-,31+/m0/s1
• InChIKey: JGTFUPZKTHJDJO-NLPARSELSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 861.548°C at 760 mmHg (Cal.)
• Flash point: 474.847°C (Cal.)