4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: 4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]butanoic acid IUPAC Name: 4-[5-carbamimidoyl-2-(2-carboxyethyl)phenoxy]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: 4-[5-amidino-2-(2-carboxyethyl)phenoxy]-3-[[1-(4-pyridyl)isonipecotoyl]amino]butyric acid Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C(=N)N)CCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C25H31N5O6/c26-24(27)18-2-1-16(3-4-22(31)32)21(13-18)36-15-19(14-23(33)34)29-25(35)17-7-11-30(12-8-17)20-5-9-28-10-6-20/h1-2,5-6,9-10,13,17,19H,3-4,7-8,11-12,14-15H2,(H3,26,27)(H,29,35)(H,31,32)(H,33,34)