Chem
J-GLOBAL ID：200907049827282137   Nikkaji number：J2.462.547H

CPZEN-45

CPZEN-45
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H45N7O10
Molecular formula furigana： C32-H45-N7-O10
Molecular weight： 687.751
InChI： InChI=1S/C32H45N7O10/c1-4-5-6-16-7-9-17(10-8-16)35-28(44)18-11-13-37(2)21(29(45)38(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)39-14-12-20(34)36-32(39)46/h7-12,14,19,21-27,30-31,40-43H,4-6,13,15,33H2,1-3H3,(H,35,44)(H2,34,36,46)/t19-,21+,22-,23+,24-,25-,26+,27+,30-,31+/m1/s1
InChI key： SFAMCCQRUGLTAZ-KDHSHZOVSA-N
SMILES： CCCCc1ccc(NC(=O)C2=CCN(C)[C@@H]([C@H](O[C@@H]3O[C@H](CN)[C@@H](O)[C@H]3O)[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(N)nc3=O)C(=O)N2C)cc1
Systematic name  (3)：
  • (2S)-N-(4-ブチルフェニル)-1,4-ジメチル-2-[(5′S)-5′-(5-アミノ-5-デオキシ-β-D-リボフラノシルオキシ)-5′-シチジル]-3-オキソ-2,3,4,7-テトラヒドロ-1H-1,4-ジアゼピン-5-カルボアミド
  • (2S)-2-[(S)-[(2S,3S,4R,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]({[(2S,3R,4S,5R)-5-(アミノメチル)-3,4-ジヒドロキシオキソラン-2-イル]オキシ})メチル]-N-(4-ブチルフェニル)-1,4-ジメチル-3-オキソ-2,3,4,7-テトラヒドロ-1H-1,4-ジアゼピン-5-カルボキサミド
  • (2S)-2-[(S)-[(2S,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]({[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy})methyl]-N-(4-butylphenyl)-1,4-dimethyl-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
Other name (2)：
  • (2S)-N-(4-Butylphenyl)-1,4-dimethyl-2-[(5′S)-5′-(5-amino-5-deoxy-β-D-ribofuranosyloxy)-5′-cytidyl]-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
  • CPZEN-45
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