(2S)-4-methylsulfanyl-2-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]butanoate Openeye Name: (2S)-2-[[(1R)-1-methyl-3-phenyl-propyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[[(2R)-4-phenylbutan-2-yl]amino]methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]butanoate Traditional Name: (2S)-2-[[(1R)-1-methyl-3-phenyl-propyl]carbamoylamino]-4-(methylthio)butyrate Formula: C16H23N2O3S- MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3S/c1-12(8-9-13-6-4-3-5-7-13)17-16(21)18-14(15(19)20)10-11-22-2/h3-7,12,14H,8-11H2,1-2H3,(H,19,20)(H2,17,18,21)/p-1/t12-,14+/m1/s1