tert-butyl (2S,3S)-3-methyl-2-(2-phenylsulfanylethanoylamino)pentanoate

Systemtic Name: tert-butyl (2S,3S)-3-methyl-2-(2-phenylsulfanylethanoylamino)pentanoate Openeye Name: tert-butyl (2S,3S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(phenylthio)acetyl]amino]valeric acid tert-butyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C18H27NO3S/c1-6-13(2)16(17(21)22-18(3,4)5)19-15(20)12-23-14-10-8-7-9-11-14/h7-11,13,16H,6,12H2,1-5H3,(H,19,20)/t13-,16-/m0/s1