methyl (2S)-2-[[[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphinothioyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphinothioyl]amino]propanoate Openeye Name: methyl (2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphinothioyl]amino]propanoate CAS Name: (2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphinothioyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphinothioyl]amino]propanoate Traditional Name: (2S)-2-[[[(3aR,4R,6R,6aR)-4-(2,4-diketopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-thiophosphoryl]amino]propionic acid methyl ester Formula: C16H24N3O9PS MolecularWeight: 465.415221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=S)(O)OCC1C2C(C(O1)N3C=CC(=O)NC3=O)OC(O2)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)NP(=S)(O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(=O)NC3=O)OC(O2)(C)C

InChI

InChI=1S/C16H24N3O9PS/c1-8(14(21)24-4)18-29(23,30)25-7-9-11-12(28-16(2,3)27-11)13(26-9)19-6-5-10(20)17-15(19)22/h5-6,8-9,11-13H,7H2,1-4H3,(H,17,20,22)(H2,18,23,30)/t8-,9+,11+,12+,13+,29?/m0/s1