2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]-3-methyl-valeric acid Formula: C26H33NO6 MolecularWeight: 455.54332

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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(C)(C)C)C)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO6/c1-8-13(2)21(24(29)30)27-20(28)10-9-16-14(3)17-11-18-19(26(5,6)7)12-32-22(18)15(4)23(17)33-25(16)31/h11-13,21H,8-10H2,1-7H3,(H,27,28)(H,29,30)