(2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](C(C)C)C(=O)O)C

InChI

InChI=1S/C19H23NO6/c1-9(2)16(18(22)23)20-17(21)12(5)25-13-6-7-14-10(3)11(4)19(24)26-15(14)8-13/h6-9,12,16H,1-5H3,(H,20,21)(H,22,23)/t12?,16-/m0/s1