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

Systemtic Name: (2R)-4-ethylsulfanyl-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoic acid Openeye Name: (2R)-4-ethylsulfanyl-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoic acid CAS Name: (2R)-4-(ethylthio)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: (2R)-4-ethylsulfanyl-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoic acid Traditional Name: (2R)-4-(ethylthio)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyric acid Formula: C19H23NO6S MolecularWeight: 393.45402

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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)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-3-27-9-8-15(18(23)24)20-17(22)7-6-14-11(2)13-5-4-12(21)10-16(13)26-19(14)25/h4-5,10,15,21H,3,6-9H2,1-2H3,(H,20,22)(H,23,24)/t15-/m1/s1