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

Systemtic Name: (2S)-2-[(3-chloranyl-4-oxidanyl-phenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3-chloro-4-hydroxyphenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(3-chloro-4-hydroxy-benzoyl)amino]-4-methyl-valerate Formula: C13H15ClNO4- MolecularWeight: 284.7155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-7(2)5-10(13(18)19)15-12(17)8-3-4-11(16)9(14)6-8/h3-4,6-7,10,16H,5H2,1-2H3,(H,15,17)(H,18,19)/p-1/t10-/m0/s1