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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(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=CC=C1C(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/c1-21-7-5-6-10-27(21)28(19-22-11-15-25(16-12-22)30(34)35)32(40)39-29(24-8-3-2-4-9-24)33(41)38-20-23-13-17-26(18-14-23)31(36)37/h5-7,10-18,24,28-29H,2-4,8-9,19-20H2,1H3,(H3,34,35)(H3,36,37)(H,38,41)(H,39,40)