tert-butyl (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoate CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid tert-butyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4S/c1-13(16-10-8-7-9-11-16)17(12-26-15(3)22)18(23)21-14(2)19(24)25-20(4,5)6/h7-11,13-14,17H,12H2,1-6H3,(H,21,23)/t13?,14-,17?/m0/s1