[(3S,6S,7R,8R)-3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbonylamino]-6-methyl-4,9-bis(oxidanylidene)-8-(phenylmethyl)-1,5-dioxonan-7-yl] 2-methylpropanoate

Systemtic Name: [(3S,6S,7R,8R)-3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbonylamino]-6-methyl-4,9-bis(oxidanylidene)-8-(phenylmethyl)-1,5-dioxonan-7-yl] 2-methylpropanoate Openeye Name: [(3S,6S,7R,8R)-8-benzyl-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(3S,6S,7R,8R)-3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-oxomethyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl] ester IUPAC Name: [(3S,6S,7R,8R)-8-benzyl-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(3S,6S,7R,8R)-8-benzyl-3-[(2,4-diketo-1H-pyrimidine-5-carbonyl)amino]-4,9-diketo-6-methyl-1,5-dioxonan-7-yl] ester Formula: C24H27N3O9 MolecularWeight: 501.48588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)OCC(C(=O)O1)NC(=O)C2=CNC(=O)NC2=O)CC3=CC=CC=C3)OC(=O)C(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=CNC(=O)NC2=O)CC3=CC=CC=C3)OC(=O)C(C)C

InChI

InChI=1S/C24H27N3O9/c1-12(2)21(30)36-18-13(3)35-23(32)17(26-19(28)16-10-25-24(33)27-20(16)29)11-34-22(31)15(18)9-14-7-5-4-6-8-14/h4-8,10,12-13,15,17-18H,9,11H2,1-3H3,(H,26,28)(H2,25,27,29,33)/t13-,15+,17-,18-/m0/s1