[2-[4-[[1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-2-methyl-4-oxidanylidene-butan-2-yl]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[4-[[1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-2-methyl-4-oxidanylidene-butan-2-yl]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-[3-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]amino]-1,1-dimethyl-3-oxo-propyl]phenyl] (2S)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-[4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]amino]-2-methyl-4-oxobutan-2-yl]phenyl] ester IUPAC Name: [2-[4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-2-methyl-4-oxobutan-2-yl]phenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)propionic acid [2-[3-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]amino]-3-keto-1,1-dimethyl-propyl]phenyl] ester Formula: C28H38N4O10 MolecularWeight: 590.62212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1C(C)(C)CC(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC1=CC=CC=C1C(C)(C)CC(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N4O10/c1-15(29-26(39)42-27(2,3)4)24(37)41-17-10-8-7-9-16(17)28(5,6)13-20(34)30-19-11-12-32(25(38)31-19)23-22(36)21(35)18(14-33)40-23/h7-12,15,18,21-23,33,35-36H,13-14H2,1-6H3,(H,29,39)(H,30,31,34,38)/t15-,18+,21+,22-,23+/m0/s1