methyl (2S)-2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-hydroxypropanoate Traditional Name: (2S)-2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCC1=CC(=C(C=C1)O)O

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C13H17NO6/c1-20-13(19)9(7-15)14-12(18)5-3-8-2-4-10(16)11(17)6-8/h2,4,6,9,15-17H,3,5,7H2,1H3,(H,14,18)/t9-/m0/s1