(2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetyl]amino]-3-methyl-butyric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC(C(C)C)C(=O)O)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N[C@@H](C(C)C)C(=O)O)C)C(=C1)O

InChI

InChI=1S/C18H21NO6/c1-8(2)16(17(22)23)19-14(21)7-11-10(4)15-12(20)5-9(3)6-13(15)25-18(11)24/h5-6,8,16,20H,7H2,1-4H3,(H,19,21)(H,22,23)/t16-/m0/s1