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

Systemtic Name: 2-(3-bromophenyl)-N-[2-[(4-carbamimidoylcyclohexyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)propanamide Openeye Name: 2-(3-bromophenyl)-N-[2-[(4-carbamimidoylcyclohexyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-3-(4-carbamimidoylphenyl)propanamide CAS Name: 2-(3-bromophenyl)-N-[2-[(4-carbamimidoylcyclohexyl)methylamino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)propanamide IUPAC Name: 2-(3-bromophenyl)-N-[2-[(4-carbamimidoylcyclohexyl)methylamino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)propanamide Traditional Name: N-[2-[(4-amidinocyclohexyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-3-(4-amidinophenyl)-2-(3-bromophenyl)propionamide Formula: C32H43BrN6O2 MolecularWeight: 623.62682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NCC2CCC(CC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)C(C(=O)NCC2CCC(CC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C32H43BrN6O2/c33-26-8-4-7-25(18-26)27(17-20-9-13-23(14-10-20)29(34)35)31(40)39-28(22-5-2-1-3-6-22)32(41)38-19-21-11-15-24(16-12-21)30(36)37/h4,7-10,13-14,18,21-22,24,27-28H,1-3,5-6,11-12,15-17,19H2,(H3,34,35)(H3,36,37)(H,38,41)(H,39,40)