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

Systemtic Name: 2-(cyclohexylcarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Openeye Name: 3-benzyl-2-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid IUPAC Name: 3-benzyl-2-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Traditional Name: 3-benzyl-2-(cyclohexanecarbonylamino)-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2C(N(CC3=CC=CC=C3N2CC4=CN=CN4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2C(N(CC3=CC=CC=C3N2CC4=CN=CN4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N5O3/c34-27(21-11-5-2-6-12-21)31-26-25(15-20-9-3-1-4-10-20)33(28(35)36)17-22-13-7-8-14-24(22)32(26)18-23-16-29-19-30-23/h1,3-4,7-10,13-14,16,19,21,25-26H,2,5-6,11-12,15,17-18H2,(H,29,30)(H,31,34)(H,35,36)