3-[3,4-bis(oxidanyl)phenyl]-2-[3-(2,3,5-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-[3-(2,3,5-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-[3-(2,3,5-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-[[1-oxo-3-(2,3,5-trimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propyl]amino]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-[3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]propionic acid Formula: C26H25NO8 MolecularWeight: 479.4786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)NC(CC4=CC(=C(C=C4)O)O)C(=O)O)C)C

Isomeric SMILES

CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CCC(=O)NC(CC4=CC(=C(C=C4)O)O)C(=O)O)C)C

InChI

InChI=1S/C26H25NO8/c1-12-14(3)34-22-11-23-18(10-17(12)22)13(2)16(26(33)35-23)5-7-24(30)27-19(25(31)32)8-15-4-6-20(28)21(29)9-15/h4,6,9-11,19,28-29H,5,7-8H2,1-3H3,(H,27,30)(H,31,32)