methyl 4-[[(4S)-6-oxidanylidene-4-phenyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4,5-dihydropyrimidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(4S)-6-oxidanylidene-4-phenyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4,5-dihydropyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(4S)-6-oxo-4-phenyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-4,5-dihydropyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[(4S)-6-oxo-4-phenyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-4,5-dihydropyrimidin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4S)-6-oxo-4-phenyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4,5-dihydropyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[(4S)-6-keto-4-phenyl-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-4,5-dihydropyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C33H37N3O12 MolecularWeight: 667.65978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC2=NC(CC(=O)N2CC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC2=N[C@@H](CC(=O)N2CC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H37N3O12/c1-18(37)44-17-26-28(45-19(2)38)29(46-20(3)39)30(47-21(4)40)31(48-26)35-33-34-25(23-9-7-6-8-10-23)15-27(41)36(33)16-22-11-13-24(14-12-22)32(42)43-5/h6-14,25-26,28-31H,15-17H2,1-5H3,(H,34,35)/t25-,26+,28+,29-,30+,31+/m0/s1