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

Systemtic Name: 5-[5-carbamimidoyl-2-(2-phosphorosoethyl)phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-(2-phosphorosoethyl)phenoxy]-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-(2-phosphorosoethyl)phenoxy]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-(2-phosphorosoethyl)phenoxy]-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-(2-phosphorosoethyl)phenoxy]-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid Formula: C25H32N5O5P MolecularWeight: 513.525841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N5O5P/c26-24(27)19-2-1-17(9-14-36-34)22(15-19)35-16-20(3-4-23(31)32)29-25(33)18-7-12-30(13-8-18)21-5-10-28-11-6-21/h1-2,5-6,10-11,15,18,20H,3-4,7-9,12-14,16H2,(H3,26,27)(H,29,33)(H,31,32)