(phenylmethyl) (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C(C)C2=CC=CC=C2

InChI

InChI=1S/C25H31NO4S/c1-17(2)23(25(29)30-15-20-11-7-5-8-12-20)26-24(28)22(16-31-19(4)27)18(3)21-13-9-6-10-14-21/h5-14,17-18,22-23H,15-16H2,1-4H3,(H,26,28)/t18?,22?,23-/m0/s1