2-[7-carboxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-carboxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-(1-tert-butoxycarbonyl-7-carboxy-4-methyl-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-[7-carboxy-4-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-carboxy-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-(1-tert-butoxycarbonyl-7-carboxy-3-keto-4-methyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate Formula: C18H21N2O7- MolecularWeight: 377.36854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)O)C)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)O)C)CC(=O)[O-]

InChI

InChI=1S/C18H22N2O7/c1-18(2,3)27-17(26)20-12-6-5-10(16(24)25)7-11(12)9-19(4)15(23)13(20)8-14(21)22/h5-7,13H,8-9H2,1-4H3,(H,21,22)(H,24,25)/p-1