methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphinothioyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]amino]-4-methyl-valeric acid methyl ester Formula: C17H27N6O7PS MolecularWeight: 490.471041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N6O7PS/c1-9(2)5-12(16(25)28-4)21-31(27,32)29-8-13-11(20-22-18)6-14(30-13)23-7-10(3)15(24)19-17(23)26/h7,9,11-14H,5-6,8H2,1-4H3,(H,19,24,26)(H2,21,27,32)/t11-,12-,13+,14+,31?/m0/s1