(2R)-2-[[5-(3,4-dimethoxyphenyl)-2-methyl-furan-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[5-(3,4-dimethoxyphenyl)-2-methyl-furan-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[5-(3,4-dimethoxyphenyl)-2-methyl-furan-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[5-(3,4-dimethoxyphenyl)-2-methyl-3-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[5-(3,4-dimethoxyphenyl)-2-methylfuran-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[5-(3,4-dimethoxyphenyl)-2-methyl-3-furoyl]amino]-4-(methylthio)butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC(=C(C=C2)OC)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=CC(=C(C=C2)OC)OC)C(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C19H23NO6S/c1-11-13(18(21)20-14(19(22)23)7-8-27-4)10-16(26-11)12-5-6-15(24-2)17(9-12)25-3/h5-6,9-10,14H,7-8H2,1-4H3,(H,20,21)(H,22,23)/t14-/m1/s1