[2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-(4,6-dimethylpyridin-2-yl)oxy-2-[(5S)-2-oxidanylidene-5-(3-phenylphenyl)-1-[[2,4,6-tris(fluoranyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-(4,6-dimethylpyridin-2-yl)oxy-2-[(5S)-2-oxidanylidene-5-(3-phenylphenyl)-1-[[2,4,6-tris(fluoranyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(4,6-dimethyl-2-pyridyl)oxy]-2-[(5S)-2-oxo-5-(3-phenylphenyl)-1-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetate CAS Name: (2S)-2-[(4,6-dimethyl-2-pyridinyl)oxy]-2-[(5S)-2-oxo-5-(3-phenylphenyl)-1-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-(4,6-dimethylpyridin-2-yl)oxy-2-[(5S)-2-oxo-5-(3-phenylphenyl)-1-[(2,4,6-trifluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetate Traditional Name: (2S)-2-[(4,6-dimethyl-2-pyridyl)oxy]-2-[(5S)-2-keto-5-(3-phenylphenyl)-1-(2,4,6-trifluorobenzyl)-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C41H37F3N4O5 MolecularWeight: 722.75149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)OC(C(=O)OCC(=O)N(C)C)C2(C3=CC=CC=C3N(C(=O)CN2)CC4=C(C=C(C=C4F)F)F)C5=CC=CC(=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=NC(=C1)O[C@H](C(=O)OCC(=O)N(C)C)[C@@]2(C3=CC=CC=C3N(C(=O)CN2)CC4=C(C=C(C=C4F)F)F)C5=CC=CC(=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C41H37F3N4O5/c1-25-17-26(2)46-36(18-25)53-39(40(51)52-24-38(50)47(3)4)41(29-14-10-13-28(19-29)27-11-6-5-7-12-27)32-15-8-9-16-35(32)48(37(49)22-45-41)23-31-33(43)20-30(42)21-34(31)44/h5-21,39,45H,22-24H2,1-4H3/t39-,41+/m1/s1