(2S)-2-azanyl-3-pyridin-2-yl-propanoic acid; 2,3-bis(phenylcarbonyloxy)butanedioic acid

Systemtic Name: (2S)-2-azanyl-3-pyridin-2-yl-propanoic acid; 2,3-bis(phenylcarbonyloxy)butanedioic acid Openeye Name: (2S)-2-amino-3-(2-pyridyl)propanoic acid; 2,3-dibenzoyloxybutanedioic acid CAS Name: (2S)-2-amino-3-(2-pyridinyl)propanoic acid; 2,3-dibenzoyloxybutanedioic acid IUPAC Name: (2S)-2-amino-3-pyridin-2-ylpropanoic acid; 2,3-dibenzoyloxybutanedioic acid Traditional Name: (2S)-2-amino-3-(2-pyridyl)propionic acid; 2,3-dibenzoyloxysuccinic acid Formula: C26H24N2O10 MolecularWeight: 524.47616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.C1=CC=NC(=C1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O.C1=CC=NC(=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C18H14O8.C8H10N2O2/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;9-7(8(11)12)5-6-3-1-2-4-10-6/h1-10,13-14H,(H,19,20)(H,21,22);1-4,7H,5,9H2,(H,11,12)/t;7-/m.0/s1