3-[[2-oxidanyl-4-[2-(pyridin-4-ylmethylcarbamoylamino)ethoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-oxidanyl-4-[2-(pyridin-4-ylmethylcarbamoylamino)ethoxy]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-hydroxy-4-[2-(4-pyridylmethylcarbamoylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: 3-[[[2-hydroxy-4-[2-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethoxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-hydroxy-4-[2-(pyridin-4-ylmethylcarbamoylamino)ethoxy]benzoyl]amino]propanoic acid Traditional Name: 3-[[2-hydroxy-4-[2-(4-pyridylmethylcarbamoylamino)ethoxy]benzoyl]amino]propionic acid Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCNC(=O)NCC2=CC=NC=C2)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1OCCNC(=O)NCC2=CC=NC=C2)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C19H22N4O6/c24-16-11-14(1-2-15(16)18(27)21-8-5-17(25)26)29-10-9-22-19(28)23-12-13-3-6-20-7-4-13/h1-4,6-7,11,24H,5,8-10,12H2,(H,21,27)(H,25,26)(H2,22,23,28)