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

Systemtic Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-[(1-ethanimidoyl-4-piperidyl)methylamino]-2-oxo-ethyl]propanamide CAS Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-[[1-(1-iminoethyl)-4-piperidinyl]methylamino]-2-oxoethyl]propanamide IUPAC Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-[(1-ethanimidoylpiperidin-4-yl)methylamino]-2-oxoethyl]propanamide Traditional Name: N-[2-[(1-acetimidoyl-4-piperidyl)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:

CC(=N)N1CCC(CC1)CNC(=O)C(C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

Isomeric SMILES

CC(=N)N1CCC(CC1)CNC(=O)C(C2CCCCC2)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C32H43BrN6O2/c1-21(34)39-16-14-23(15-17-39)20-37-32(41)29(24-6-3-2-4-7-24)38-31(40)28(26-8-5-9-27(33)19-26)18-22-10-12-25(13-11-22)30(35)36/h5,8-13,19,23-24,28-29,34H,2-4,6-7,14-18,20H2,1H3,(H3,35,36)(H,37,41)(H,38,40)