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

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(4-methylphenyl)propanamide Openeye Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-(p-tolyl)propanamide CAS Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-(4-methylphenyl)propanamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-(4-methylphenyl)propanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-3-(4-amidinophenyl)-2-(p-tolyl)propionamide Formula: C33H40N6O2 MolecularWeight: 552.7097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C33H40N6O2/c1-21-7-13-24(14-8-21)28(19-22-9-15-26(16-10-22)30(34)35)32(40)39-29(25-5-3-2-4-6-25)33(41)38-20-23-11-17-27(18-12-23)31(36)37/h7-18,25,28-29H,2-6,19-20H2,1H3,(H3,34,35)(H3,36,37)(H,38,41)(H,39,40)