N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)-2-(3-methylphenyl)propanamide

Systemtic Name: N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)-2-(3-methylphenyl)propanamide Openeye Name: N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]-3-(4-carbamimidoylphenyl)-2-(m-tolyl)propanamide CAS Name: N-[2-[[2-amino-2-imino-1-(4-piperidinyl)ethyl]amino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)-2-(3-methylphenyl)propanamide IUPAC Name: N-[2-[(2-amino-2-imino-1-piperidin-4-ylethyl)amino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)-2-(3-methylphenyl)propanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-keto-ethyl]-2-(m-tolyl)propionamide Formula: C32H45N7O2 MolecularWeight: 559.7454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NC(C4CCNCC4)C(=N)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NC(C4CCNCC4)C(=N)N

InChI

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