(2S,3S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(3,5-dimethylanilino)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-methyl-valeric acid Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NC1=CC(=CC(=C1)C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)NC1=CC(=CC(=C1)C)C

InChI

InChI=1S/C15H22N2O3/c1-5-11(4)13(14(18)19)17-15(20)16-12-7-9(2)6-10(3)8-12/h6-8,11,13H,5H2,1-4H3,(H,18,19)(H2,16,17,20)/t11-,13-/m0/s1