2-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]-2-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[3-(6-oxidanylidene-3H-purin-9-yl)propanoylamino]-2-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-(5-hydroxy-1H-indol-3-yl)-2-[3-(6-oxo-3H-purin-9-yl)propanoylamino]propanoic acid CAS Name: 2-(5-hydroxy-1H-indol-3-yl)-2-[[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]amino]propanoic acid IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)-2-[3-(6-oxo-3H-purin-9-yl)propanoylamino]propanoic acid Traditional Name: 2-(5-hydroxy-1H-indol-3-yl)-2-[3-(6-keto-3H-purin-9-yl)propanoylamino]propionic acid Formula: C19H18N6O5 MolecularWeight: 410.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C=C(C=C2)O)(C(=O)O)NC(=O)CCN3C=NC4=C3NC=NC4=O

Isomeric SMILES

CC(C1=CNC2=C1C=C(C=C2)O)(C(=O)O)NC(=O)CCN3C=NC4=C3NC=NC4=O

InChI

InChI=1S/C19H18N6O5/c1-19(18(29)30,12-7-20-13-3-2-10(26)6-11(12)13)24-14(27)4-5-25-9-23-15-16(25)21-8-22-17(15)28/h2-3,6-9,20,26H,4-5H2,1H3,(H,24,27)(H,29,30)(H,21,22,28)