2-azanyl-8-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Systemtic Name: 2-azanyl-8-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid Openeye Name: 2-amino-8-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]tetralin-2-carboxylic acid CAS Name: 2-amino-8-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid IUPAC Name: 2-amino-8-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid Traditional Name: 2-amino-8-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]tetralin-2-carboxylic acid Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC4=C3CC(CC4)(C(=O)O)N)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC4=C3CC(CC4)(C(=O)O)N)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O4/c1-33-22-13-6-5-11-19(22)23(18-8-3-2-4-9-18)31-24(25(33)34)32-27(37)30-21-12-7-10-17-14-15-28(29,26(35)36)16-20(17)21/h2-13,24H,14-16,29H2,1H3,(H,35,36)(H2,30,32,37)