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

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

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)NC(=O)CCN3C=NC4=C3NC=NC4=O

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)NC(=O)CCN3C=NC4=C3NC=NC4=O

InChI

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