(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid

Systemtic Name: (2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Openeye Name: (2S)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid CAS Name: (2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: (2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Traditional Name: (2S)-3-keto-2-(2-keto-2-methoxy-ethyl)-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5/c1-28-19(24)12-18-20(25)23(10-9-14-5-3-2-4-6-14)13-16-11-15(21(26)27)7-8-17(16)22-18/h2-8,11,18,22H,9-10,12-13H2,1H3,(H,26,27)/t18-/m0/s1