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

Systemtic Name: 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-cyclohexyl-5-(2-cyclohexyl-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C31H38N4O5 MolecularWeight: 546.65722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C31H38N4O5/c36-28(21-10-3-1-4-11-21)20-35-27-17-8-7-16-26(27)34(24-14-5-2-6-15-24)19-25(29(35)37)33-31(40)32-23-13-9-12-22(18-23)30(38)39/h7-9,12-13,16-18,21,24-25H,1-6,10-11,14-15,19-20H2,(H,38,39)(H2,32,33,40)