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

Systemtic Name: tert-butyl (2S)-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]pentanoate Openeye Name: tert-butyl (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]pentanoate CAS Name: (2S)-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]valeric acid tert-butyl ester Formula: C27H35NO4S MolecularWeight: 469.6361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[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/C27H35NO4S/c1-6-13-23(25(30)32-27(3,4)5)28-24(29)22(19(2)20-14-9-7-10-15-20)18-33-26(31)21-16-11-8-12-17-21/h7-12,14-17,19,22-23H,6,13,18H2,1-5H3,(H,28,29)/t19?,22?,23-/m0/s1