(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-(3-phenylsulfanylpropylamino)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-(3-phenylsulfanylpropylamino)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-(3-phenylsulfanylpropylcarbamoyl)propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-oxo-1-[3-(phenylthio)propylamino]butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[3-(phenylthio)propylcarbamoyl]propyl]carbamic acid benzyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCSC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCSC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-17(2)20(24-22(26)27-16-18-10-5-3-6-11-18)21(25)23-14-9-15-28-19-12-7-4-8-13-19/h3-8,10-13,17,20H,9,14-16H2,1-2H3,(H,23,25)(H,24,26)/t20-/m0/s1