methyl 2-[[6-[6-[6-[[bis(2-methoxy-2-oxidanylidene-ethyl)amino]methyl]pyridin-2-yl]-4-[4-[6-[3-[(2R,4S,5R)-5-[bis(4-methoxyphenyl)methoxymethyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-2,6-bis(oxidanylidene)pyrimidin-1-yl]hex-1-ynyl]phenyl]pyridin-2-yl]pyridin-2-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: methyl 2-[[6-[6-[6-[[bis(2-methoxy-2-oxidanylidene-ethyl)amino]methyl]pyridin-2-yl]-4-[4-[6-[3-[(2R,4S,5R)-5-[bis(4-methoxyphenyl)methoxymethyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-oxolan-2-yl]-2,6-bis(oxidanylidene)pyrimidin-1-yl]hex-1-ynyl]phenyl]pyridin-2-yl]pyridin-2-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: methyl 2-[[6-[6-[6-[[bis(2-methoxy-2-oxo-ethyl)amino]methyl]-2-pyridyl]-4-[4-[6-[3-[(2R,4S,5R)-5-[bis(4-methoxyphenyl)methoxymethyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxy-tetrahydrofuran-2-yl]-2,6-dioxo-pyrimidin-1-yl]hex-1-ynyl]phenyl]-2-pyridyl]-2-pyridyl]methyl-(2-methoxy-2-oxo-ethyl)amino]acetate CAS Name: 2-[[6-[6-[6-[[bis(2-methoxy-2-oxoethyl)amino]methyl]-2-pyridinyl]-4-[4-[6-[3-[(2R,4S,5R)-5-[bis(4-methoxyphenyl)methoxymethyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxy-2-oxolanyl]-2,6-dioxo-1-pyrimidinyl]hex-1-ynyl]phenyl]-2-pyridinyl]-2-pyridinyl]methyl-(2-methoxy-2-oxoethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[6-[6-[[bis(2-methoxy-2-oxoethyl)amino]methyl]pyridin-2-yl]-4-[4-[6-[3-[(2R,4S,5R)-5-[bis(4-methoxyphenyl)methoxymethyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,6-dioxopyrimidin-1-yl]hex-1-ynyl]phenyl]pyridin-2-yl]pyridin-2-yl]methyl-(2-methoxy-2-oxoethyl)amino]acetate Traditional Name: 2-[[6-[6-[6-[[bis(2-keto-2-methoxy-ethyl)amino]methyl]-2-pyridyl]-4-[4-[6-[3-[(2R,4S,5R)-5-[bis(4-methoxyphenyl)methoxymethyl]-4-[2-cyanoethoxy-(diisopropylamino)phosphino]oxy-tetrahydrofuran-2-yl]-2,6-diketo-pyrimidin-1-yl]hex-1-ynyl]phenyl]-2-pyridyl]-2-pyridyl]methyl-(2-keto-2-methoxy-ethyl)amino]acetic acid methyl ester Formula: C74H86N9O16P MolecularWeight: 1388.499101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)N4C=CC(=O)N(C4=O)CCCCC#CC5=CC=C(C=C5)C6=CC(=NC(=C6)C7=NC(=CC=C7)CN(CC(=O)OC)CC(=O)OC)C8=NC(=CC=C8)CN(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)N4C=CC(=O)N(C4=O)CCCCC#CC5=CC=C(C=C5)C6=CC(=NC(=C6)C7=NC(=CC=C7)CN(CC(=O)OC)CC(=O)OC)C8=NC(=CC=C8)CN(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C74H86N9O16P/c1-50(2)83(51(3)4)100(97-39-17-36-75)99-65-42-68(98-66(65)49-96-73(54-27-31-59(90-5)32-28-54)55-29-33-60(91-6)34-30-55)82-38-35-67(84)81(74(82)89)37-14-12-11-13-18-52-23-25-53(26-24-52)56-40-63(61-21-15-19-57(76-61)43-79(45-69(85)92-7)46-70(86)93-8)78-64(41-56)62-22-16-20-58(77-62)44-80(47-71(87)94-9)48-72(88)95-10/h15-16,19-35,38,40-41,50-51,65-66,68,73H,11-12,14,17,37,39,42-49H2,1-10H3/t65-,66+,68+,100?/m0/s1