1-azanyl-6-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2,3-dihydroindene-1-carboxylic acid

Systemtic Name: 1-azanyl-6-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2,3-dihydroindene-1-carboxylic acid Openeye Name: 1-amino-6-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]indane-1-carboxylic acid CAS Name: 1-amino-6-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]-2,3-dihydroindene-1-carboxylic acid IUPAC Name: 1-amino-6-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-2,3-dihydroindene-1-carboxylic acid Traditional Name: 1-amino-6-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]indane-1-carboxylic acid Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC4(C(=O)O)N)C=C3)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC4(C(=O)O)N)C=C3)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4/c1-32-21-10-6-5-9-19(21)22(17-7-3-2-4-8-17)30-23(24(32)33)31-26(36)29-18-12-11-16-13-14-27(28,25(34)35)20(16)15-18/h2-12,15,23H,13-14,28H2,1H3,(H,34,35)(H2,29,31,36)