3-(4-carbamimidoylphenyl)-2-cyclohexyl-N-[1-cyclohexyl-2-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]propanamide; ethanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-cyclohexyl-N-[1-cyclohexyl-2-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]propanamide; ethanoic acid Openeye Name: acetic acid; 3-(4-carbamimidoylphenyl)-2-cyclohexyl-N-[1-cyclohexyl-2-[(1-ethanimidoyl-4-piperidyl)methylamino]-2-oxo-ethyl]propanamide CAS Name: acetic acid; 3-(4-carbamimidoylphenyl)-2-cyclohexyl-N-[1-cyclohexyl-2-[[1-(1-iminoethyl)-4-piperidinyl]methylamino]-2-oxoethyl]propanamide IUPAC Name: acetic acid; 3-(4-carbamimidoylphenyl)-2-cyclohexyl-N-[1-cyclohexyl-2-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-oxoethyl]propanamide Traditional Name: acetic acid; N-[2-[(1-acetimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-3-(4-amidinophenyl)-2-cyclohexyl-propionamide Formula: C34H54N6O4 MolecularWeight: 610.83036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CNC(=O)C(C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4CCCCC4.CC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)CNC(=O)C(C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4CCCCC4.CC(=O)O

InChI

InChI=1S/C32H50N6O2.C2H4O2/c1-22(33)38-18-16-24(17-19-38)21-36-32(40)29(26-10-6-3-7-11-26)37-31(39)28(25-8-4-2-5-9-25)20-23-12-14-27(15-13-23)30(34)35;1-2(3)4/h12-15,24-26,28-29,33H,2-11,16-21H2,1H3,(H3,34,35)(H,36,40)(H,37,39);1H3,(H,3,4)