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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-formamido-3-phenyl-propanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[(2-formamido-3-phenyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-3-[(2-formamido-1-oxo-3-phenylpropyl)amino]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-[(2-formamido-3-phenylpropanoyl)amino]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(2-formamido-3-phenyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C20H21N7O6 MolecularWeight: 455.42404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O6/c21-16-13-17(23-7-22-16)27(8-24-13)19-14(29)12(15(33-19)20(31)32)26-18(30)11(25-9-28)6-10-4-2-1-3-5-10/h1-5,7-9,11-12,14-15,19,29H,6H2,(H,25,28)(H,26,30)(H,31,32)(H2,21,22,23)