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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N7O8/c36-18(11-12-29-28(41)42-13-16-7-3-1-4-8-16)33-19-21(37)26(43-22(19)27(39)40)35-15-32-20-23(30-14-31-24(20)35)34-25(38)17-9-5-2-6-10-17/h1-10,14-15,19,21-22,26,37H,11-13H2,(H,29,41)(H,33,36)(H,39,40)(H,30,31,34,38)