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

Systemtic Name: tert-butyl (2S)-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]propanoate Openeye Name: tert-butyl (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoate CAS Name: (2S)-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid tert-butyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H31NO4S/c1-17(19-12-8-6-9-13-19)21(16-31-24(29)20-14-10-7-11-15-20)22(27)26-18(2)23(28)30-25(3,4)5/h6-15,17-18,21H,16H2,1-5H3,(H,26,27)/t17?,18-,21?/m0/s1