Chemical Compound

J3.000.420E

Primary Record

Compound Identifiers & Properties

PubChem CID: 177568826
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COOCCOC3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)OCCOP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)O[C@@H]8[C@H](O[C@H]([C@@H]8O)N9C=NC1=C(N=CN=C19)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C21)N)COCCCNC(=O)C1=CC=C(C=C1)/C=C/C1=CC=C(C=C1)C(=O)NCCCO)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)O
Canonical SMILES: Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COOCCOc3ccc(/C=C/c4ccc(OCCOP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COCCCNC(=O)c5ccc(/C=C/c6ccc(C(=O)NCCCO)cc6)cc5)cc4)cc3)O2)c(=O)[nH]c1=O

J3.000.420E
{[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[(2-{4-[2-(4-{2-[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(3-{[4-(2-{4-[(3-hydroxypropyl)carbamoyl]phenyl}ethenyl)phenyl]formamido}propoxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]ethoxy}phenyl)ethenyl]phenoxy}ethyl)peroxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}phosphonic acid
5 -O-[5 -O-[5 -O-[2-[4 -[2-[5 -O-[5 -O-[5 -O-[3-[4 -(3-Hydroxypropylcarbamoyl)stilbene-4-ylcarbonylamino]propyl]-3 -adenylyl]-3 -adenylyl]-3 -adenylyloxy]ethoxy]stilbene-4-yloxy]ethoxy]-3 -thymidylyl]-3 -thymidylyl]-3 -thymidylic acid