2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N)O

InChI

InChI=1S/C17H18N6O5/c18-17-21-14-13(15(26)22-17)19-8-23(14)6-5-12(25)20-11(16(27)28)7-9-1-3-10(24)4-2-9/h1-4,8,11,24H,5-7H2,(H,20,25)(H,27,28)(H3,18,21,22,26)