3-(5-oxidanyl-1H-indol-3-yl)-2-[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxypropanoylamino]propanoic acid

Systemtic Name: 3-(5-oxidanyl-1H-indol-3-yl)-2-[2-(3,4,7-trimethyl-2-oxidanylidene-chromen-5-yl)oxypropanoylamino]propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(3,4,7-trimethyl-2-oxo-chromen-5-yl)oxypropanoylamino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[1-oxo-2-[(3,4,7-trimethyl-2-oxo-1-benzopyran-5-yl)oxy]propyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanoylamino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[2-(2-keto-3,4,7-trimethyl-chromen-5-yl)oxypropanoylamino]propionic acid Formula: C26H26N2O7 MolecularWeight: 478.49384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C26H26N2O7/c1-12-7-21(23-13(2)14(3)26(33)35-22(23)8-12)34-15(4)24(30)28-20(25(31)32)9-16-11-27-19-6-5-17(29)10-18(16)19/h5-8,10-11,15,20,27,29H,9H2,1-4H3,(H,28,30)(H,31,32)