methyl (2S)-2,4-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-2,4-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-2,4-bis[(2,3-dihydroxybenzoyl)amino]butanoate CAS Name: (2S)-2,4-bis[[(2,3-dihydroxyphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2,4-bis[(2,3-dihydroxybenzoyl)amino]butanoate Traditional Name: (2S)-2,4-bis[(2,3-dihydroxybenzoyl)amino]butyric acid methyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCNC(=O)C1=C(C(=CC=C1)O)O)NC(=O)C2=C(C(=CC=C2)O)O

Isomeric SMILES

COC(=O)[C@H](CCNC(=O)C1=C(C(=CC=C1)O)O)NC(=O)C2=C(C(=CC=C2)O)O

InChI

InChI=1S/C19H20N2O8/c1-29-19(28)12(21-18(27)11-5-3-7-14(23)16(11)25)8-9-20-17(26)10-4-2-6-13(22)15(10)24/h2-7,12,22-25H,8-9H2,1H3,(H,20,26)(H,21,27)/t12-/m0/s1