2-azanyl-7-[(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-7-[(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-7-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]tetralin-2-carboxylic acid CAS Name: 2-amino-7-[[[(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-7-[(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-7-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]tetralin-2-carboxylic acid Formula: C28H27N5O4 MolecularWeight: 497.54508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC(C4)(C(=O)O)N)C=C3)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC4=C(CCC(C4)(C(=O)O)N)C=C3)C5=CC=CC=C5

InChI

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