N-[1-[(2R,4S,5R)-5-[2-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[2-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[2-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-hydroxyethyl)oxolan-3-yl]methylsulfanyl]ethyl]oxolan-3-yl]methylsulfanyl]ethyl]oxolan-3-yl]methylsulfanyl]ethyl]-4-[(phenylmethylsulfanyl)methyl]oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(2R,4S,5R)-5-[2-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[2-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[2-[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-hydroxyethyl)oxolan-3-yl]methylsulfanyl]ethyl]oxolan-3-yl]methylsulfanyl]ethyl]oxolan-3-yl]methylsulfanyl]ethyl]-4-[(phenylmethylsulfanyl)methyl]oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,4S,5R)-4-(benzylsulfanylmethyl)-5-[2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(2-hydroxyethyl)tetrahydrofuran-3-yl]methylsulfanyl]ethyl]tetrahydrofuran-3-yl]methylsulfanyl]ethyl]tetrahydrofuran-3-yl]methylsulfanyl]ethyl]tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,4S,5R)-5-[2-[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[2-[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[2-[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-(2-hydroxyethyl)-3-oxolanyl]methylthio]ethyl]-3-oxolanyl]methylthio]ethyl]-3-oxolanyl]methylthio]ethyl]-4-[(phenylmethylthio)methyl]-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,4S,5R)-4-(benzylsulfanylmethyl)-5-[2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(2-hydroxyethyl)oxolan-3-yl]methylsulfanyl]ethyl]oxolan-3-yl]methylsulfanyl]ethyl]oxolan-3-yl]methylsulfanyl]ethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,4S,5R)-4-[(benzylthio)methyl]-5-[2-[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[2-[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[2-[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-(2-hydroxyethyl)tetrahydrofuran-3-yl]methylthio]ethyl]tetrahydrofuran-3-yl]methylthio]ethyl]tetrahydrofuran-3-yl]methylthio]ethyl]tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C58H69N9O13S4 MolecularWeight: 1228.48096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=O)NC2=O)CCO)CSCCC3C(CC(O3)N4C=CC(=O)NC4=O)CSCCC5C(CC(O5)N6C=CC(=O)NC6=O)CSCCC7C(CC(O7)N8C=CC(=NC8=O)NC(=O)C9=CC=CC=C9)CSCC1=CC=CC=C1

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CCO)CSCC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)CSCC[C@@H]5[C@H](C[C@@H](O5)N6C=CC(=O)NC6=O)CSCC[C@@H]7[C@H](C[C@@H](O7)N8C=CC(=NC8=O)NC(=O)C9=CC=CC=C9)CSCC1=CC=CC=C1

InChI

InChI=1S/C58H69N9O13S4/c68-23-15-42-38(27-51(77-42)65-20-12-47(69)61-56(65)74)32-81-24-16-43-39(28-52(78-43)66-21-13-48(70)62-57(66)75)33-82-25-17-44-40(29-53(79-44)67-22-14-49(71)63-58(67)76)34-83-26-18-45-41(35-84-31-36-7-3-1-4-8-36)30-50(80-45)64-19-11-46(60-55(64)73)59-54(72)37-9-5-2-6-10-37/h1-14,19-22,38-45,50-53,68H,15-18,23-35H2,(H,61,69,74)(H,62,70,75)(H,63,71,76)(H,59,60,72,73)/t38-,39-,40-,41-,42-,43-,44-,45-,50-,51-,52-,53-/m1/s1