5-(6-aminopurin-9-yl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[[5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxo-5-phenylmethoxypentyl]amino]-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-4-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[5-benzoxy-2-(tert-butoxycarbonylamino)-5-keto-pentanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C27H33N7O9 MolecularWeight: 599.59242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O

InChI

InChI=1S/C27H33N7O9/c1-27(2,3)43-26(40)32-15(9-10-16(35)41-11-14-7-5-4-6-8-14)23(37)33-17-19(36)24(42-20(17)25(38)39)34-13-31-18-21(28)29-12-30-22(18)34/h4-8,12-13,15,17,19-20,24,36H,9-11H2,1-3H3,(H,32,40)(H,33,37)(H,38,39)(H2,28,29,30)