3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C28H27N5O5/c1-28(2,3)22(34)16-33-21-13-5-4-11-19(21)23(20-12-6-7-14-29-20)31-24(25(33)35)32-27(38)30-18-10-8-9-17(15-18)26(36)37/h4-15,24H,16H2,1-3H3,(H,36,37)(H2,30,32,38)