(2S,3S)-2-azanyl-3-[2,3-bis(oxidanyl)phenyl]carbonyloxy-butanoic acid

Systemtic Name: (2S,3S)-2-azanyl-3-[2,3-bis(oxidanyl)phenyl]carbonyloxy-butanoic acid Openeye Name: (2S,3S)-2-amino-3-(2,3-dihydroxybenzoyl)oxy-butanoic acid CAS Name: (2S,3S)-2-amino-3-[(2,3-dihydroxyphenyl)-oxomethoxy]butanoic acid IUPAC Name: (2S,3S)-2-amino-3-(2,3-dihydroxybenzoyl)oxybutanoic acid Traditional Name: (2S,3S)-2-amino-3-(2,3-dihydroxybenzoyl)oxy-butyric acid Formula: C11H13NO6 MolecularWeight: 255.22402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N)OC(=O)C1=C(C(=CC=C1)O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6/c1-5(8(12)10(15)16)18-11(17)6-3-2-4-7(13)9(6)14/h2-5,8,13-14H,12H2,1H3,(H,15,16)/t5-,8-/m0/s1