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

Systemtic Name: 5-(6-aminopurin-9-yl)-4-oxidanyl-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C27H27N7O7 MolecularWeight: 561.54598

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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)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N7O7/c28-22-19-23(30-13-29-22)34(14-31-19)25-20(35)18(21(41-25)26(37)38)33-24(36)17(11-15-7-3-1-4-8-15)32-27(39)40-12-16-9-5-2-6-10-16/h1-10,13-14,17-18,20-21,25,35H,11-12H2,(H,32,39)(H,33,36)(H,37,38)(H2,28,29,30)