(2R)-2-[[2-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[2-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[[2-(pivaloylamino)benzoyl]amino]butyrate Formula: C17H23N2O4S- MolecularWeight: 351.44052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H24N2O4S/c1-17(2,3)16(23)19-12-8-6-5-7-11(12)14(20)18-13(15(21)22)9-10-24-4/h5-8,13H,9-10H2,1-4H3,(H,18,20)(H,19,23)(H,21,22)/p-1/t13-/m1/s1