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

Systemtic Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]propanamide Openeye Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]propanamide CAS Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-1-cyclohexyl-2-oxoethyl]propanamide IUPAC Name: 2-(4-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxoethyl]propanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[(1-amidino-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-2-(4-bromophenyl)propionamide Formula: C31H42BrN7O2 MolecularWeight: 624.61488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NCC2CCN(CC2)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)NCC2CCN(CC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H42BrN7O2/c32-25-12-10-22(11-13-25)26(18-20-6-8-24(9-7-20)28(33)34)29(40)38-27(23-4-2-1-3-5-23)30(41)37-19-21-14-16-39(17-15-21)31(35)36/h6-13,21,23,26-27H,1-5,14-19H2,(H3,33,34)(H3,35,36)(H,37,41)(H,38,40)