4-[2-azanyl-1-[3-methoxy-5-(4-methylidene-2-oxidanylidene-5H-pyrimidin-1-ium-1-yl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-2,2-dimethyl-N-(7-methyl-2-oxidanylidene-azepan-3-yl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide

Systemtic Name: 4-[2-azanyl-1-[3-methoxy-5-(4-methylidene-2-oxidanylidene-5H-pyrimidin-1-ium-1-yl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-2,2-dimethyl-N-(7-methyl-2-oxidanylidene-azepan-3-yl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide Openeye Name: 4-[2-amino-1-[4-hydroxy-3-methoxy-5-(4-methylene-2-oxo-5H-pyrimidin-1-ium-1-yl)tetrahydrofuran-2-yl]-2-oxo-ethoxy]-2,2-dimethyl-N-(7-methyl-2-oxo-azepan-3-yl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide CAS Name: 4-[2-amino-1-[4-hydroxy-3-methoxy-5-(4-methylene-2-oxo-5H-pyrimidin-1-ium-1-yl)-2-oxolanyl]-2-oxoethoxy]-2,2-dimethyl-N-(7-methyl-2-oxo-3-azepanyl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide IUPAC Name: 4-[2-amino-1-[4-hydroxy-3-methoxy-5-(4-methylidene-2-oxo-5H-pyrimidin-1-ium-1-yl)oxolan-2-yl]-2-oxoethoxy]-2,2-dimethyl-N-(7-methyl-2-oxoazepan-3-yl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide Traditional Name: 4-[2-amino-1-[4-hydroxy-5-(2-keto-4-methylene-5H-pyrimidin-1-ium-1-yl)-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-N-(2-keto-7-methyl-azepan-3-yl)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide Formula: C28H40N5O11+ MolecularWeight: 622.6441

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(=O)N1)NC(=O)C2=CC3C(C(O2)OC(C4C(C(C(O4)[N+]5=CCC(=C)NC5=O)O)OC)C(=O)N)OC(O3)(C)C

Isomeric SMILES

CC1CCCC(C(=O)N1)NC(=O)C2=CC3C(C(O2)OC(C4C(C(C(O4)[N+]5=CCC(=C)NC5=O)O)OC)C(=O)N)OC(O3)(C)C

InChI

InChI=1S/C28H39N5O11/c1-12-7-6-8-14(23(36)30-12)32-24(37)16-11-15-18(44-28(3,4)43-15)26(40-16)42-21(22(29)35)20-19(39-5)17(34)25(41-20)33-10-9-13(2)31-27(33)38/h10-12,14-15,17-21,25-26,34H,2,6-9H2,1,3-5H3,(H4-,29,30,31,32,35,36,37,38)/p+1