5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-[2-(phenylmethoxycarbonylamino)propanoylamino]oxolane-2-carboxylic acid

Systemtic Name: 5-(6-benzamidopurin-9-yl)-4-oxidanyl-3-[2-(phenylmethoxycarbonylamino)propanoylamino]oxolane-2-carboxylic acid Openeye Name: 5-(6-benzamidopurin-9-yl)-3-[2-(benzyloxycarbonylamino)propanoylamino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-benzamido-9-purinyl)-4-hydroxy-3-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[2-(phenylmethoxycarbonylamino)propanoylamino]oxolane-2-carboxylic acid Traditional Name: 5-(6-benzamidopurin-9-yl)-3-[2-(benzyloxycarbonylamino)propanoylamino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C28H27N7O8 MolecularWeight: 589.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N7O8/c1-15(32-28(41)42-12-16-8-4-2-5-9-16)24(37)33-18-20(36)26(43-21(18)27(39)40)35-14-31-19-22(29-13-30-23(19)35)34-25(38)17-10-6-3-7-11-17/h2-11,13-15,18,20-21,26,36H,12H2,1H3,(H,32,41)(H,33,37)(H,39,40)(H,29,30,34,38)