1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid

Systemtic Name: 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid CAS Name: 1-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid IUPAC Name: 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-keto-1-methyl-3,4-dihydro-1,5-benzodiazepine-5-carboxylic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2N(C1=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2N(C1=O)C)C(=O)O

InChI

InChI=1S/C16H21N3O5/c1-16(2,3)24-14(21)17-10-9-19(15(22)23)12-8-6-5-7-11(12)18(4)13(10)20/h5-8,10H,9H2,1-4H3,(H,17,21)(H,22,23)