(2S)-2-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-7-methyl-3H-1-benzofuran-2-carboxylic acid

Systemtic Name: (2S)-2-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-7-methyl-3H-1-benzofuran-2-carboxylic acid Openeye Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-7-methyl-3H-benzofuran-2-carboxylic acid CAS Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-7-methyl-3H-benzofuran-2-carboxylic acid IUPAC Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-7-methyl-3H-1-benzofuran-2-carboxylic acid Traditional Name: (2S)-2-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-7-methyl-coumaran-2-carboxylic acid Formula: C13H15NO5 MolecularWeight: 265.2619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(C2)(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C13H15NO5/c1-7-3-2-4-8-5-13(12(17)18,19-10(7)8)6-9(14)11(15)16/h2-4,9H,5-6,14H2,1H3,(H,15,16)(H,17,18)/t9-,13-/m0/s1