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

Systemtic Name: (2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]propionic acid Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO6S/c1-14-17-8-7-16(25)11-20(17)30-23(29)18(14)9-10-21(26)24-19(22(27)28)13-31-12-15-5-3-2-4-6-15/h2-8,11,19,25H,9-10,12-13H2,1H3,(H,24,26)(H,27,28)/t19-/m0/s1