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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(C2CCCCC2)C(=O)NCC3CCN(CC3)C(=N)N)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=CC=C1N(C(C2CCCCC2)C(=O)NCC3CCN(CC3)C(=N)N)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

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