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

Systemtic Name: tert-butyl (2S)-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]butanoate Openeye Name: tert-butyl (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]butanoate CAS Name: (2S)-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]butanoate Traditional Name: (2S)-2-[[2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]butyric acid tert-butyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)NC(=O)C(CSC(=O)C1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

CC[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/C26H33NO4S/c1-6-22(24(29)31-26(3,4)5)27-23(28)21(18(2)19-13-9-7-10-14-19)17-32-25(30)20-15-11-8-12-16-20/h7-16,18,21-22H,6,17H2,1-5H3,(H,27,28)/t18?,21?,22-/m0/s1