5-(6-benzamidopurin-9-yl)-3-[[3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-phenyl-propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-benzamidopurin-9-yl)-3-[[3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-2-phenyl-propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[[3-[(4-nitrophenyl)methoxy]-3-oxo-2-phenyl-propanoyl]amino]tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-benzamido-9-purinyl)-4-hydroxy-3-[[3-[(4-nitrophenyl)methoxy]-1,3-dioxo-2-phenylpropyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[[3-[(4-nitrophenyl)methoxy]-3-oxo-2-phenylpropanoyl]amino]oxolane-2-carboxylic acid Traditional Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[[3-keto-3-(4-nitrobenzyl)oxy-2-phenyl-propanoyl]amino]tetrahydrofuran-2-carboxylic acid Formula: C33H27N7O10 MolecularWeight: 681.60838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)O)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C33H27N7O10/c41-25-23(37-30(43)22(19-7-3-1-4-8-19)33(46)49-15-18-11-13-21(14-12-18)40(47)48)26(32(44)45)50-31(25)39-17-36-24-27(34-16-35-28(24)39)38-29(42)20-9-5-2-6-10-20/h1-14,16-17,22-23,25-26,31,41H,15H2,(H,37,43)(H,44,45)(H,34,35,38,42)