methyl (2S)-4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate Openeye Name: methyl (2S)-2-[(1-methyl-3-phenyl-propyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(4-phenylbutan-2-ylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate Traditional Name: (2S)-2-[(1-methyl-3-phenyl-propyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3S/c1-13(9-10-14-7-5-4-6-8-14)18-17(21)19-15(11-12-23-3)16(20)22-2/h4-8,13,15H,9-12H2,1-3H3,(H2,18,19,21)/t13?,15-/m0/s1