2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid

Systemtic Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid Openeye Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxo-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid CAS Name: 2-[[(2S,4R,6R)-4-[4-[[(cyclopropylamino)-oxomethyl]amino]-2-oxo-1-pyrimidinyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid IUPAC Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxopyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid Traditional Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-keto-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid Formula: C28H28N4O8 MolecularWeight: 548.54392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=NC(=O)N(C=C2)C3C4C(C(O3)COCC5=CC=CC=C5C(=O)O)OC(O4)C6=CC=CC=C6

Isomeric SMILES

C1CC1NC(=O)NC2=NC(=O)N(C=C2)[C@H]3C4C([C@H](O3)COCC5=CC=CC=C5C(=O)O)O[C@@H](O4)C6=CC=CC=C6

InChI

InChI=1S/C28H28N4O8/c33-25(34)19-9-5-4-8-17(19)14-37-15-20-22-23(40-26(39-22)16-6-2-1-3-7-16)24(38-20)32-13-12-21(31-28(32)36)30-27(35)29-18-10-11-18/h1-9,12-13,18,20,22-24,26H,10-11,14-15H2,(H,33,34)(H2,29,30,31,35,36)/t20-,22?,23?,24-,26+/m1/s1