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

Systemtic Name: 2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid Traditional Name: 2-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid Formula: C19H19N7O5 MolecularWeight: 425.39806

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O5/c20-19-24-16-15(17(29)25-19)22-8-26(16)4-3-14(28)23-13(18(30)31)5-9-7-21-12-2-1-10(27)6-11(9)12/h1-2,6-8,13,21,27H,3-5H2,(H,23,28)(H,30,31)(H3,20,24,25,29)