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

Systemtic Name: 5-(6-benzamidopurin-9-yl)-3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-benzamidopurin-9-yl)-3-[[3-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-benzamido-9-purinyl)-4-hydroxy-3-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-benzamidopurin-9-yl)-4-hydroxy-3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]oxolane-2-carboxylic acid Traditional Name: 5-(6-benzamidopurin-9-yl)-3-[[3-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C31H33N7O8 MolecularWeight: 631.63582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33N7O8/c1-31(2,3)46-30(44)35-19(17-10-6-4-7-11-17)14-20(39)36-21-23(40)28(45-24(21)29(42)43)38-16-34-22-25(32-15-33-26(22)38)37-27(41)18-12-8-5-9-13-18/h4-13,15-16,19,21,23-24,28,40H,14H2,1-3H3,(H,35,44)(H,36,39)(H,42,43)(H,32,33,37,41)