4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]ethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 4-[2-[5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]ethyl]-1-(4-pyridyl)isonipecotic acid Formula: C29H37N7O3 MolecularWeight: 531.64918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)C(=N)N)N=C2CCC4(CCN(CC4)C5=CC=NC=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)C(=N)N)N=C2CCC4(CCN(CC4)C5=CC=NC=C5)C(=O)O

InChI

InChI=1S/C29H37N7O3/c30-27(31)20-6-7-24-23(18-20)34-25(36(24)19-26(37)33-21-4-2-1-3-5-21)8-11-29(28(38)39)12-16-35(17-13-29)22-9-14-32-15-10-22/h6-7,9-10,14-15,18,21H,1-5,8,11-13,16-17,19H2,(H3,30,31)(H,33,37)(H,38,39)