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

Systemtic Name: (2S,3S)-2-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methyl-valerate Formula: C13H16NO5- MolecularWeight: 266.26984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)O)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=C(C=C(C=C1)O)O

InChI

InChI=1S/C13H17NO5/c1-3-7(2)11(13(18)19)14-12(17)9-5-4-8(15)6-10(9)16/h4-7,11,15-16H,3H2,1-2H3,(H,14,17)(H,18,19)/p-1/t7-,11-/m0/s1