3-methyl-2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]ethanoylamino]pentanoic acid Openeye Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-methyl-valeric acid Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2OC1=O)O)O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2OC1=O)O)O)C

InChI

InChI=1S/C18H21NO7/c1-4-8(2)16(17(23)24)19-14(22)7-11-9(3)15-12(21)5-10(20)6-13(15)26-18(11)25/h5-6,8,16,20-21H,4,7H2,1-3H3,(H,19,22)(H,23,24)