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

Systemtic Name: (2S)-4-methyl-2-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]pentanoate Openeye Name: (2S)-2-[(2-hydroxy-4-methyl-benzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2-hydroxy-4-methylphenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(2-hydroxy-4-methylbenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-hydroxy-4-methyl-benzoyl)amino]-4-methyl-valerate Formula: C14H18NO4- MolecularWeight: 264.29702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CC(C)C)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-8(2)6-11(14(18)19)15-13(17)10-5-4-9(3)7-12(10)16/h4-5,7-8,11,16H,6H2,1-3H3,(H,15,17)(H,18,19)/p-1/t11-/m0/s1