(2S,3R)-3-ethylsulfanyl-2-[2-(4-methoxyphenyl)ethynylsulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S,3R)-3-ethylsulfanyl-2-[2-(4-methoxyphenyl)ethynylsulfonylamino]-3-phenyl-propanoic acid Openeye Name: (2S,3R)-3-ethylsulfanyl-2-[2-(4-methoxyphenyl)ethynylsulfonylamino]-3-phenyl-propanoic acid CAS Name: (2S,3R)-3-(ethylthio)-2-[2-(4-methoxyphenyl)ethynylsulfonylamino]-3-phenylpropanoic acid IUPAC Name: (2S,3R)-3-ethylsulfanyl-2-[2-(4-methoxyphenyl)ethynylsulfonylamino]-3-phenylpropanoic acid Traditional Name: (2S,3R)-3-(ethylthio)-2-[2-(4-methoxyphenyl)ethynylsulfonylamino]-3-phenyl-propionic acid Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC=CC=C1)C(C(=O)O)NS(=O)(=O)C#CC2=CC=C(C=C2)OC

Isomeric SMILES

CCS[C@H](C1=CC=CC=C1)[C@H](C(=O)O)NS(=O)(=O)C#CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H21NO5S2/c1-3-27-19(16-7-5-4-6-8-16)18(20(22)23)21-28(24,25)14-13-15-9-11-17(26-2)12-10-15/h4-12,18-19,21H,3H2,1-2H3,(H,22,23)/t18-,19-/m1/s1