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

Systemtic Name: 3-[[1-(2-cyclopentyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(2-cyclopentyl-2-oxoethyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(2-cyclopentyl-2-oxoethyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-(2-cyclopentyl-2-keto-ethyl)-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C29H27N5O5 MolecularWeight: 525.55518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=N5

InChI

InChI=1S/C29H27N5O5/c35-24(18-8-1-2-9-18)17-34-23-14-4-3-12-21(23)25(22-13-5-6-15-30-22)32-26(27(34)36)33-29(39)31-20-11-7-10-19(16-20)28(37)38/h3-7,10-16,18,26H,1-2,8-9,17H2,(H,37,38)(H2,31,33,39)