[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 3-(phenylsulfonyl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CNC(=O)[C@H](C)OC(=O)CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-3-18(19-10-6-4-7-11-19)16-23-22(25)17(2)28-21(24)14-15-29(26,27)20-12-8-5-9-13-20/h4-13,17-18H,3,14-16H2,1-2H3,(H,23,25)/t17-,18-/m0/s1