5-[5-carbamimidoyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-[5-carbamimidoyl-2-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid Openeye Name: 5-[5-carbamimidoyl-2-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenoxy]-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: 5-[5-carbamimidoyl-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]pentanoic acid IUPAC Name: 5-[5-carbamimidoyl-2-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoic acid Traditional Name: 5-[5-amidino-2-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenoxy]-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid Formula: C26H31N5O6 MolecularWeight: 509.55424

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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)C=CC(=O)O)C3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O6/c27-25(28)19-2-1-17(3-5-23(32)33)22(15-19)37-16-20(4-6-24(34)35)30-26(36)18-9-13-31(14-10-18)21-7-11-29-12-8-21/h1-3,5,7-8,11-12,15,18,20H,4,6,9-10,13-14,16H2,(H3,27,28)(H,30,36)(H,32,33)(H,34,35)/b5-3+