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

Systemtic Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]propanamide Openeye Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]propanamide CAS Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]propanamide IUPAC Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]propanamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-3-(4-amidinophenyl)-2-(4-bromophenyl)propionamide Formula: C32H37BrN6O2 MolecularWeight: 617.57918

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Descriptors Computed from Structure

Canonical SMILES:

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=C(C=C4)Br

Isomeric SMILES

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=C(C=C4)Br

InChI

InChI=1S/C32H37BrN6O2/c33-26-16-14-22(15-17-26)27(18-20-6-10-24(11-7-20)29(34)35)31(40)39-28(23-4-2-1-3-5-23)32(41)38-19-21-8-12-25(13-9-21)30(36)37/h6-17,23,27-28H,1-5,18-19H2,(H3,34,35)(H3,36,37)(H,38,41)(H,39,40)