(2S)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoate Openeye Name: (2S)-2-[(4-isopropylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(4-propan-2-ylanilino)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)carbamoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-(p-cumenylcarbamoylamino)butyrate Formula: C15H21N2O3S- MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-10(2)11-4-6-12(7-5-11)16-15(20)17-13(14(18)19)8-9-21-3/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H2,16,17,20)/p-1/t13-/m0/s1