(2S)-2-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: (2S)-2-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-3H-1-benzofuran-2-carboxylic acid Openeye Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3H-benzofuran-2-carboxylic acid CAS Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-3H-benzofuran-2-carboxylic acid IUPAC Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-3H-1-benzofuran-2-carboxylic acid Traditional Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-keto-propyl]coumaran-2-carboxylic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC1(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C12H13NO5/c13-8(10(14)15)6-12(11(16)17)5-7-3-1-2-4-9(7)18-12/h1-4,8H,5-6,13H2,(H,14,15)(H,16,17)/t8-,12-/m0/s1