(2S)-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-pyridin-1-yl]pent-4-ynoic acid

Systemtic Name: (2S)-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-pyridin-1-yl]pent-4-ynoic acid Openeye Name: (2S)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-1-pyridyl]pent-4-ynoic acid CAS Name: (2S)-2-[3-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-2-oxo-1-pyridinyl]-4-pentynoic acid IUPAC Name: (2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoic acid Traditional Name: (2S)-2-[2-keto-3-[(5-methylisoxazole-3-carbonyl)amino]-1-pyridyl]pent-4-ynoic acid Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=CC=CN(C2=O)C(CC#C)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=CC=CN(C2=O)[C@@H](CC#C)C(=O)O

InChI

InChI=1S/C15H13N3O5/c1-3-5-12(15(21)22)18-7-4-6-10(14(18)20)16-13(19)11-8-9(2)23-17-11/h1,4,6-8,12H,5H2,2H3,(H,16,19)(H,21,22)/t12-/m0/s1