(S)-2-Dimethylamino-N-[(3R,4S,7S)-7-(1H-Indol-3-Ylmethyl)-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-10,12,14(1),15-Tetren-4-Yl]-3-Methylbutanamide
[CAS# 18397-13-2]

Identification

• Name: (S)-2-Dimethylamino-N-[(3R,4S,7S)-7-(1H-Indol-3-Ylmethyl)-5,8-Dioxo-3-Phenyl-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)-7-(1H-Indol-3-Ylmethyl)-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-Butanamide; (2S)-2-Dimethylamino-N-[(3R,4S,7S,10Z)-7-(1H-Indol-3-Ylmethyl)-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-Butyramide; C10007
• Molecular Formula: C₃₅H₃₉N₅O₄
• Molecular Weight: 593.72
• CAS Registry Number: 18397-13-2
• 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=C[NH]C4=CC=CC=C34)C5=CC=CC=C5
• InChI: 1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1
• InChIKey: BDHCXPWIDHVEQN-LKTJRWEVSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 906.341°C at 760 mmHg (Cal.)
• Flash point: 501.937°C (Cal.)