3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(2-methylphenyl)propanamide

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(2-methylphenyl)propanamide Openeye Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-(o-tolyl)propanamide CAS Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-(2-methylphenyl)propanamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-(2-methylphenyl)propanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[(1-amidino-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-2-(o-tolyl)propionamide Formula: C32H45N7O2 MolecularWeight: 559.7454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4CCN(CC4)C(=N)N

Isomeric SMILES

CC1=CC=CC=C1C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4CCN(CC4)C(=N)N

InChI

InChI=1S/C32H45N7O2/c1-21-7-5-6-10-26(21)27(19-22-11-13-25(14-12-22)29(33)34)30(40)38-28(24-8-3-2-4-9-24)31(41)37-20-23-15-17-39(18-16-23)32(35)36/h5-7,10-14,23-24,27-28H,2-4,8-9,15-20H2,1H3,(H3,33,34)(H3,35,36)(H,37,41)(H,38,40)