1-(2-azanylpropanoyl)-1-[(2-oxidanylidene-1H-pyridin-4-yl)carbonyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-[(2-oxidanylidene-1H-pyridin-4-yl)carbonyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-[oxo-(2-oxo-1H-pyridin-4-yl)methyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-alanyl-1-(2-keto-1H-pyridine-4-carbonyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C14H18N3O5+ MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(CCCC1C(=O)O)C(=O)C2=CC(=O)NC=C2)N

Isomeric SMILES

CC(C(=O)[N+]1(CCCC1C(=O)O)C(=O)C2=CC(=O)NC=C2)N

InChI

InChI=1S/C14H17N3O5/c1-8(15)12(19)17(6-2-3-10(17)14(21)22)13(20)9-4-5-16-11(18)7-9/h4-5,7-8,10H,2-3,6,15H2,1H3,(H-,16,18,21,22)/p+1