[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCCSC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCCSC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-18(2)23(26-21(27)16-19-10-5-3-6-11-19)24(29)30-17-22(28)25-14-9-15-31-20-12-7-4-8-13-20/h3-8,10-13,18,23H,9,14-17H2,1-2H3,(H,25,28)(H,26,27)/t23-/m0/s1