(2R)-4-methylsulfanyl-2-[2-[3-oxidanyl-4-(2-phenoxyethanoyl)phenoxy]ethanoylamino]butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-[2-[3-oxidanyl-4-(2-phenoxyethanoyl)phenoxy]ethanoylamino]butanoic acid Openeye Name: (2R)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[2-[3-hydroxy-4-(1-oxo-2-phenoxyethyl)phenoxy]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-4-(methylthio)butyric acid Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

InChI

InChI=1S/C21H23NO7S/c1-30-10-9-17(21(26)27)22-20(25)13-29-15-7-8-16(18(23)11-15)19(24)12-28-14-5-3-2-4-6-14/h2-8,11,17,23H,9-10,12-13H2,1H3,(H,22,25)(H,26,27)/t17-/m1/s1