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

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-phenyl-propanamide Openeye Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-phenyl-propanamide CAS Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-phenylpropanamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-phenylpropanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[(1-amidino-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-2-phenyl-propionamide Formula: C31H43N7O2 MolecularWeight: 545.71882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NCC2CCN(CC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(C(=O)NCC2CCN(CC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C31H43N7O2/c32-28(33)25-13-11-21(12-14-25)19-26(23-7-3-1-4-8-23)29(39)37-27(24-9-5-2-6-10-24)30(40)36-20-22-15-17-38(18-16-22)31(34)35/h1,3-4,7-8,11-14,22,24,26-27H,2,5-6,9-10,15-20H2,(H3,32,33)(H3,34,35)(H,36,40)(H,37,39)