N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)propanamide

Systemtic Name: N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)propanamide Openeye Name: N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]-2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)propanamide CAS Name: N-[2-[[2-amino-2-imino-1-(4-piperidinyl)ethyl]amino]-1-cyclohexyl-2-oxoethyl]-2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)propanamide IUPAC Name: N-[2-[(2-amino-2-imino-1-piperidin-4-ylethyl)amino]-1-cyclohexyl-2-oxoethyl]-2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)propanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-keto-ethyl]-2-(3-bromophenyl)propionamide Formula: C31H42BrN7O2 MolecularWeight: 624.61488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NC(C2CCNCC2)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)NC(C2CCNCC2)C(=N)N)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C31H42BrN7O2/c32-24-8-4-7-23(18-24)25(17-19-9-11-22(12-10-19)28(33)34)30(40)39-27(20-5-2-1-3-6-20)31(41)38-26(29(35)36)21-13-15-37-16-14-21/h4,7-12,18,20-21,25-27,37H,1-3,5-6,13-17H2,(H3,33,34)(H3,35,36)(H,38,41)(H,39,40)