3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: 3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: 3-[4-hydroxy-3-[1-oxo-2-(thiophen-2-ylamino)propyl]phenyl]-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[4-hydroxy-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: 3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]-2-nicotinamido-propionic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2)O)NC3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2)O)NC3=CC=CS3

InChI

InChI=1S/C22H21N3O5S/c1-13(24-19-5-3-9-31-19)20(27)16-10-14(6-7-18(16)26)11-17(22(29)30)25-21(28)15-4-2-8-23-12-15/h2-10,12-13,17,24,26H,11H2,1H3,(H,25,28)(H,29,30)