(2S)-2-Dimethylamino-N-[(3R,4S,7S)-5,8-Dioxo-3-Phenyl-7-Phenylmethyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]-3-Methylbutanamide
[CAS# 17948-40-2]

Identification

• Name: (2S)-2-Dimethylamino-N-[(3R,4S,7S)-5,8-Dioxo-3-Phenyl-7-Phenylmethyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]-3-Methylbutanamide
• Synonyms: (2S)-2-Dimethylamino-N-[(3R,4S,7S,10Z)-5,8-Dioxo-3-Phenyl-7-(Phenylmethyl)-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-Butanamide; (2S)-N-[(3R,4S,7S,10Z)-7-(Benzyl)-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-Butyramide; C10006
• Molecular Formula: C₃₃H₃₈N₄O₄
• Molecular Weight: 554.69
• CAS Registry Number: 17948-40-2
• SMILES: [C@H](N(C)C)(C(C)C)C(=O)N[C@H]2[C@H](OC1=CC=C(C=C1)\C=C/NC(=O)[C@@H](NC2=O)CC3=CC=CC=C3)C4=CC=CC=C4
• InChI: 1S/C33H38N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-20,22,27-30H,21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/b20-19-/t27-,28-,29-,30+/m0/s1
• InChIKey: QMQZKCJJHAIMPG-RIINEJRYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 829.279°C at 760 mmHg (Cal.)
• Flash point: 455.331°C (Cal.)