(phenylmethyl) 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: benzyl 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetate CAS Name: 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetate Traditional Name: 2-[(3S)-5-cyclohexyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-3H-1,4-benzodiazepin-3-yl]acetic acid benzyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)CC(=O)OCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)CC(=O)OCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C30H36N2O4/c1-30(2,3)26(33)19-32-25-17-11-10-16-23(25)28(22-14-8-5-9-15-22)31-24(29(32)35)18-27(34)36-20-21-12-6-4-7-13-21/h4,6-7,10-13,16-17,22,24H,5,8-9,14-15,18-20H2,1-3H3/t24-/m0/s1