(2S,3S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]carbonyloxy-butanoic acid

Systemtic Name: (2S,3S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]carbonyloxy-butanoic acid Openeye Name: (2S,3S)-2-amino-3-(3,4-dihydroxybenzoyl)oxy-butanoic acid CAS Name: (2S,3S)-2-amino-3-[(3,4-dihydroxyphenyl)-oxomethoxy]butanoic acid IUPAC Name: (2S,3S)-2-amino-3-(3,4-dihydroxybenzoyl)oxybutanoic acid Traditional Name: (2S,3S)-2-amino-3-protocatechuoyloxy-butyric acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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