(phenylmethyl) (2R)-2-[[[(4S,5R,7R)-7-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-6-oxaspiro[2.4]heptan-5-yl]methoxy-(2-methyl-5-propan-2-yl-phenoxy)phosphoryl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[[(4S,5R,7R)-7-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-6-oxaspiro[2.4]heptan-5-yl]methoxy-(2-methyl-5-propan-2-yl-phenoxy)phosphoryl]amino]propanoate Openeye Name: benzyl (2R)-2-[[[(4S,5R,7R)-7-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-6-oxaspiro[2.4]heptan-5-yl]methoxy-(5-isopropyl-2-methyl-phenoxy)phosphoryl]amino]propanoate CAS Name: (2R)-2-[[[(4S,5R,7R)-7-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-6-oxaspiro[2.4]heptan-5-yl]methoxy-(2-methyl-5-propan-2-ylphenoxy)phosphoryl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[[(4S,5R,7R)-7-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-6-oxaspiro[2.4]heptan-5-yl]methoxy-(2-methyl-5-propan-2-ylphenoxy)phosphoryl]amino]propanoate Traditional Name: (2R)-2-[[[(4S,5R,7R)-7-(2,4-diketopyrimidin-1-yl)-4-hydroxy-6-oxaspiro[2.4]heptan-5-yl]methoxy-(5-isopropyl-2-methyl-phenoxy)phosphoryl]amino]propionic acid benzyl ester Formula: C31H38N3O9P MolecularWeight: 627.621881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OP(=O)(NC(C)C(=O)OCC2=CC=CC=C2)OCC3C(C4(CC4)C(O3)N5C=CC(=O)NC5=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OP(=O)(N[C@H](C)C(=O)OCC2=CC=CC=C2)OC[C@@H]3[C@H](C4(CC4)[C@@H](O3)N5C=CC(=O)NC5=O)O

InChI

InChI=1S/C31H38N3O9P/c1-19(2)23-11-10-20(3)24(16-23)43-44(39,33-21(4)28(37)40-17-22-8-6-5-7-9-22)41-18-25-27(36)31(13-14-31)29(42-25)34-15-12-26(35)32-30(34)38/h5-12,15-16,19,21,25,27,29,36H,13-14,17-18H2,1-4H3,(H,33,39)(H,32,35,38)/t21-,25-,27-,29-,44?/m1/s1