5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-(3-phenylpropanoylamino)oxolane-2-carboxylic acid

Systemtic Name: 5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-(3-phenylpropanoylamino)oxolane-2-carboxylic acid Openeye Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(3-phenylpropanoylamino)tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-benzamido-9-purinyl)-4-hydroxy-3-[(1-oxo-3-phenylpropyl)amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-(3-phenylpropanoylamino)oxolane-2-carboxylic acid Traditional Name: 5-(6-benzamidopurin-9-yl)-3-(hydrocinnamoylamino)-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C26H24N6O6 MolecularWeight: 516.50536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C26H24N6O6/c33-17(12-11-15-7-3-1-4-8-15)30-18-20(34)25(38-21(18)26(36)37)32-14-29-19-22(27-13-28-23(19)32)31-24(35)16-9-5-2-6-10-16/h1-10,13-14,18,20-21,25,34H,11-12H2,(H,30,33)(H,36,37)(H,27,28,31,35)