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

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

C1=CC2=C(C=C1O)C=C(N2)CC(C(=O)O)NC(=O)CCN3C=NC4=C3NC=NC4=O

Isomeric SMILES

C1=CC2=C(C=C1O)C=C(N2)CC(C(=O)O)NC(=O)CCN3C=NC4=C3NC=NC4=O

InChI

InChI=1S/C19H18N6O5/c26-12-1-2-13-10(6-12)5-11(23-13)7-14(19(29)30)24-15(27)3-4-25-9-22-16-17(25)20-8-21-18(16)28/h1-2,5-6,8-9,14,23,26H,3-4,7H2,(H,24,27)(H,29,30)(H,20,21,28)