5-[5-carbamimidoyl-2-(2-diethoxyphosphorylethyl)phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-[5-carbamimidoyl-2-(2-diethoxyphosphorylethyl)phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(2-diethoxyphosphorylethyl)phenoxy]-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(2-diethoxyphosphorylethyl)phenoxy]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(2-diethoxyphosphorylethyl)phenoxy]-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(2-diethoxyphosphorylethyl)phenoxy]-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid Formula: C29H42N5O7P MolecularWeight: 603.646841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC1=C(C=C(C=C1)C(=N)N)OCC(CCC(=O)O)NC(=O)C2CCN(CC2)C3=CC=NC=C3)OCC

Isomeric SMILES

CCOP(=O)(CCC1=C(C=C(C=C1)C(=N)N)OCC(CCC(=O)O)NC(=O)C2CCN(CC2)C3=CC=NC=C3)OCC

InChI

InChI=1S/C29H42N5O7P/c1-3-40-42(38,41-4-2)18-13-21-5-6-23(28(30)31)19-26(21)39-20-24(7-8-27(35)36)33-29(37)22-11-16-34(17-12-22)25-9-14-32-15-10-25/h5-6,9-10,14-15,19,22,24H,3-4,7-8,11-13,16-18,20H2,1-2H3,(H3,30,31)(H,33,37)(H,35,36)