[2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2S)-4-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-4-(2-acetamido-6-oxo-3H-purin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-(2-acetamido-6-keto-3H-purin-9-yl)-2-(tert-butoxycarbonylamino)butyric acid succinimido ester Formula: C20H25N7O8 MolecularWeight: 491.4546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CCC(C(=O)ON3C(=O)CCC3=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC[C@@H](C(=O)ON3C(=O)CCC3=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N7O8/c1-10(28)22-18-24-15-14(16(31)25-18)21-9-26(15)8-7-11(23-19(33)34-20(2,3)4)17(32)35-27-12(29)5-6-13(27)30/h9,11H,5-8H2,1-4H3,(H,23,33)(H2,22,24,25,28,31)/t11-/m0/s1