3-[2-(3-azanyl-6-methyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-2-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-(3-azanyl-6-methyl-2-oxidanylidene-pyridin-1-yl)ethanoylamino]-2-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-(3-amino-6-methyl-2-oxo-1-pyridyl)acetyl]amino]-2-(3-pyridyl)propanoic acid CAS Name: 3-[[2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-2-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-(3-amino-6-methyl-2-oxopyridin-1-yl)acetyl]amino]-2-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(3-amino-2-keto-6-methyl-1-pyridyl)acetyl]amino]-2-(3-pyridyl)propionic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)NCC(C2=CN=CC=C2)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)NCC(C2=CN=CC=C2)C(=O)O)N

InChI

InChI=1S/C16H18N4O4/c1-10-4-5-13(17)15(22)20(10)9-14(21)19-8-12(16(23)24)11-3-2-6-18-7-11/h2-7,12H,8-9,17H2,1H3,(H,19,21)(H,23,24)