(2R)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-ethylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-4-ethylsulfanyl-butanoic acid Openeye Name: (2R)-4-ethylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]butanoic acid CAS Name: (2R)-4-(ethylthio)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: (2R)-4-ethylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]butanoic acid Traditional Name: (2R)-4-(ethylthio)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]butyric acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

Isomeric SMILES

CCSCC[C@H](C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

InChI

InChI=1S/C20H25NO6S/c1-4-28-10-9-15(19(24)25)21-17(23)8-6-14-11(2)13-5-7-16(22)12(3)18(13)27-20(14)26/h5,7,15,22H,4,6,8-10H2,1-3H3,(H,21,23)(H,24,25)/t15-/m1/s1