8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid

Systemtic Name: 8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Openeye Name: 3-benzyl-8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid CAS Name: 8-[[(cyclohexylamino)-oxomethyl]amino]-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid IUPAC Name: 3-benzyl-8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Traditional Name: 3-benzyl-8-(cyclohexylcarbamoylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Formula: C28H34N6O3 MolecularWeight: 502.60796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC3=C(CN(C(CN3CC4=CN=CN4)CC5=CC=CC=C5)C(=O)O)C=C2

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC3=C(CN(C(CN3CC4=CN=CN4)CC5=CC=CC=C5)C(=O)O)C=C2

InChI

InChI=1S/C28H34N6O3/c35-27(31-22-9-5-2-6-10-22)32-23-12-11-21-16-34(28(36)37)25(13-20-7-3-1-4-8-20)18-33(26(21)14-23)17-24-15-29-19-30-24/h1,3-4,7-8,11-12,14-15,19,22,25H,2,5-6,9-10,13,16-18H2,(H,29,30)(H,36,37)(H2,31,32,35)