(2S,3S)-2-[(3-methylphenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3S)-2-[(3-methylphenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3S)-3-hydroxy-2-[(3-methylbenzoyl)amino]butanoic acid CAS Name: (2S,3S)-3-hydroxy-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S,3S)-3-hydroxy-2-[(3-methylbenzoyl)amino]butanoic acid Traditional Name: (2S,3S)-3-hydroxy-2-(m-toluoylamino)butyric acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H]([C@H](C)O)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-7-4-3-5-9(6-7)11(15)13-10(8(2)14)12(16)17/h3-6,8,10,14H,1-2H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1