[(2S)-3-phenyl-2-(propylamino)propanoyl] (2S)-3-ethanoylsulfanyl-2-methyl-propanoate

Systemtic Name: [(2S)-3-phenyl-2-(propylamino)propanoyl] (2S)-3-ethanoylsulfanyl-2-methyl-propanoate Openeye Name: [(2S)-3-phenyl-2-(propylamino)propanoyl] (2S)-3-acetylsulfanyl-2-methyl-propanoate CAS Name: (2S)-3-(acetylthio)-2-methylpropanoic acid [(2S)-1-oxo-3-phenyl-2-(propylamino)propyl] ester IUPAC Name: [(2S)-3-phenyl-2-(propylamino)propanoyl] (2S)-3-acetylsulfanyl-2-methylpropanoate Traditional Name: (2S)-3-(acetylthio)-2-methyl-propionic acid [(2S)-3-phenyl-2-(propylamino)propanoyl] ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(CC1=CC=CC=C1)C(=O)OC(=O)C(C)CSC(=O)C

Isomeric SMILES

CCCN[C@@H](CC1=CC=CC=C1)C(=O)OC(=O)[C@H](C)CSC(=O)C

InChI

InChI=1S/C18H25NO4S/c1-4-10-19-16(11-15-8-6-5-7-9-15)18(22)23-17(21)13(2)12-24-14(3)20/h5-9,13,16,19H,4,10-12H2,1-3H3/t13-,16+/m1/s1