(2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[3-(7,8-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[3-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[3-(2-keto-7,8-dimethoxy-4-methyl-chromen-3-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CCC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C20H25NO7S/c1-11-12-5-7-15(26-2)18(27-3)17(12)28-20(25)13(11)6-8-16(22)21-14(19(23)24)9-10-29-4/h5,7,14H,6,8-10H2,1-4H3,(H,21,22)(H,23,24)/t14-/m0/s1