6-[1-(2-azanylpropanoyl)-2-carboxy-pyrrolidin-1-ium-1-yl]carbonylpyridine-2-carboxylic acid

Systemtic Name: 6-[1-(2-azanylpropanoyl)-2-carboxy-pyrrolidin-1-ium-1-yl]carbonylpyridine-2-carboxylic acid Openeye Name: 6-[1-(2-aminopropanoyl)-2-carboxy-pyrrolidin-1-ium-1-carbonyl]pyridine-2-carboxylic acid CAS Name: 6-[[1-(2-amino-1-oxopropyl)-2-carboxy-1-pyrrolidin-1-iumyl]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[1-(2-aminopropanoyl)-2-carboxypyrrolidin-1-ium-1-carbonyl]pyridine-2-carboxylic acid Traditional Name: 6-(1-alanyl-2-carboxy-pyrrolidin-1-ium-1-carbonyl)picolinic acid Formula: C15H18N3O6+ MolecularWeight: 336.31992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-8(16)12(19)18(7-3-6-11(18)15(23)24)13(20)9-4-2-5-10(17-9)14(21)22/h2,4-5,8,11H,3,6-7,16H2,1H3,(H-,21,22,23,24)/p+1