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

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-phenyl-propanamide; ethanoic acid Openeye Name: acetic acid; 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-phenyl-propanamide CAS Name: acetic acid; 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-phenylpropanamide IUPAC Name: acetic acid; 3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-phenylpropanamide Traditional Name: acetic acid; N-[2-[(4-amidinobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-3-(4-amidinophenyl)-2-phenyl-propionamide Formula: C34H42N6O4 MolecularWeight: 598.73508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCC(CC1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)O.C1CCC(CC1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C32H38N6O2.C2H4O2/c33-29(34)25-15-11-21(12-16-25)19-27(23-7-3-1-4-8-23)31(39)38-28(24-9-5-2-6-10-24)32(40)37-20-22-13-17-26(18-14-22)30(35)36;1-2(3)4/h1,3-4,7-8,11-18,24,27-28H,2,5-6,9-10,19-20H2,(H3,33,34)(H3,35,36)(H,37,40)(H,38,39);1H3,(H,3,4)