5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-4-hydroxy-3-(tyrosylamino)tetrahydrofuran-2-carboxylic acid Formula: C19H21N7O6 MolecularWeight: 443.41334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N)O

InChI

InChI=1S/C19H21N7O6/c20-10(5-8-1-3-9(27)4-2-8)17(29)25-11-13(28)18(32-14(11)19(30)31)26-7-24-12-15(21)22-6-23-16(12)26/h1-4,6-7,10-11,13-14,18,27-28H,5,20H2,(H,25,29)(H,30,31)(H2,21,22,23)