2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-valeric acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C

InChI

InChI=1S/C22H25NO6/c1-5-11(2)20(21(25)26)23-19(24)7-6-14-13(4)16-8-15-12(3)10-28-17(15)9-18(16)29-22(14)27/h8-11,20H,5-7H2,1-4H3,(H,23,24)(H,25,26)