dimethyl (2S)-2-[[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(2R)-2-phenyl-2-phenylsulfanyl-acetyl]amino]pentanedioate CAS Name: (2S)-2-[[(2R)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2R)-2-phenyl-2-(phenylthio)acetyl]amino]glutaric acid dimethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)[C@@H](C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-26-18(23)14-13-17(21(25)27-2)22-20(24)19(15-9-5-3-6-10-15)28-16-11-7-4-8-12-16/h3-12,17,19H,13-14H2,1-2H3,(H,22,24)/t17-,19+/m0/s1