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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-3-7(2)11(13(18)19)15-12(17)8-4-5-10(16)9(14)6-8/h4-7,11,16H,3H2,1-2H3,(H,15,17)(H,18,19)/p-1/t7-,11-/m0/s1