[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-azanylpropanoate

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-azanylpropanoate 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-aminopropanoate CAS Name: (2S)-2-aminopropanoic 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-aminopropanoate Traditional Name: (2S)-2-aminopropionic 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: C23H30N4O8 MolecularWeight: 490.5063

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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)N

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)N

InChI

InChI=1S/C23H30N4O8/c1-12(24)21(32)35-14-7-5-4-6-13(14)23(2,3)10-17(29)25-16-8-9-27(22(33)26-16)20-19(31)18(30)15(11-28)34-20/h4-9,12,15,18-20,28,30-31H,10-11,24H2,1-3H3,(H,25,26,29,33)/t12-,15+,18+,19-,20+/m0/s1