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

Systemtic Name: 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[(3S)-5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[(3S)-5-cyclohexyl-2-keto-1-(2-keto-3,3-dimethyl-butyl)-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)CC(=O)O)C3CCCCC3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)CC(=O)O)C3CCCCC3

InChI

InChI=1S/C23H30N2O4/c1-23(2,3)19(26)14-25-18-12-8-7-11-16(18)21(15-9-5-4-6-10-15)24-17(22(25)29)13-20(27)28/h7-8,11-12,15,17H,4-6,9-10,13-14H2,1-3H3,(H,27,28)/t17-/m0/s1