S-[2-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[4-[(2S)-2-[ethanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[4-[(2S)-2-[ethanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[[4-[(2S)-2-[acetyl(tert-butoxycarbonyl)amino]-3-(tert-butoxycarbonylamino)-3-oxo-propyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[4-[(2S)-2-[acetyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[[4-[(2S)-2-[acetyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[[4-[(2S)-2-[acetyl(tert-butoxycarbonyl)amino]-3-(tert-butoxycarbonylamino)-3-keto-propyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] ester Formula: C38H54N7O14PS MolecularWeight: 895.912621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(C=C3)CC(C(=O)NC(=O)OC(C)(C)C)N(C(=O)C)C(=O)OC(C)(C)C)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCSC(=O)C(C)(C)C)OC3=CC=C(C=C3)C[C@@H](C(=O)NC(=O)OC(C)(C)C)N(C(=O)C)C(=O)OC(C)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C38H54N7O14PS/c1-22-20-44(33(50)40-30(22)47)29-19-26(42-43-39)28(56-29)21-55-60(53,54-16-17-61-32(49)36(3,4)5)59-25-14-12-24(13-15-25)18-27(31(48)41-34(51)57-37(6,7)8)45(23(2)46)35(52)58-38(9,10)11/h12-15,20,26-29H,16-19,21H2,1-11H3,(H,40,47,50)(H,41,48,51)/t26-,27-,28+,29+,60?/m0/s1