3-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-cyclohexyl-4-oxo-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-cyclohexyl-4-keto-5-(2-keto-2-pyrrolidino-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C(=O)N(C3=CC=CC=C32)CC(=O)N4CCCC4)NC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CC(C(=O)N(C3=CC=CC=C32)CC(=O)N4CCCC4)NC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C29H35N5O5/c35-26(32-15-6-7-16-32)19-34-25-14-5-4-13-24(25)33(22-11-2-1-3-12-22)18-23(27(34)36)31-29(39)30-21-10-8-9-20(17-21)28(37)38/h4-5,8-10,13-14,17,22-23H,1-3,6-7,11-12,15-16,18-19H2,(H,37,38)(H2,30,31,39)