(2S,3S)-3-methyl-2-[(5-methyl-2-oxidanyl-phenyl)carbonylamino]pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-[(5-methyl-2-oxidanyl-phenyl)carbonylamino]pentanoic acid Openeye Name: (2S,3S)-2-[(2-hydroxy-5-methyl-benzoyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2-hydroxy-5-methylphenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(2-hydroxy-5-methyl-benzoyl)amino]-3-methyl-valeric acid Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-4-9(3)12(14(18)19)15-13(17)10-7-8(2)5-6-11(10)16/h5-7,9,12,16H,4H2,1-3H3,(H,15,17)(H,18,19)/t9-,12-/m0/s1