Chem
J-GLOBAL ID：201007017482717897   Nikkaji number：J2.890.183F

1-(9H-Fluorene-9-ylmethoxycarbonyl)-4α-(N-benzoyl-3′-cytidylyl)-D-proline

1-(9H-フルオレン-9-イルメトキシカルボニル)-4α-(N-ベンゾイル-3′-シチジリル)-D-プロリン
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： C36H35N4O12P
Molecular formula furigana： C36-H35-N4-O12-P
Molecular weight： 746.666
InChI： InChI=1S/C36H35N4O12P/c41-18-28-31(30(42)33(51-28)39-15-14-29(38-35(39)46)37-32(43)20-8-2-1-3-9-20)52-53(48,49)21-16-27(34(44)45)40(17-21)36(47)50-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-15,21,26-28,30-31,33,41-42H,16-19H2,(H,44,45)(H,48,49)(H,37,38,43,46)/t21-,27+,28+,30+,31+,33+/m0/s1
InChI key： AGRQSKGIKYYDIG-YFXUXQKMSA-N
SMILES： OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)[C@H]1C[C@@H](N(C1)C(=O)OCC1c2ccccc2c2ccccc12)C(=O)O)n1ccc(NC(=O)c2ccccc2)nc1=O
Systematic name  (3)：
  • 1-(9H-フルオレン-9-イルメトキシカルボニル)-4α-(N-ベンゾイル-3′-シチジリル)-D-プロリン
  • (2R,4S)-4-({[(2R,3S,4R,5R)-5-(4-ベンズアミド-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-4-ヒドロキシ-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}(ヒドロキシ)ホスホリル)-1-{[(9H-フルオレン-9-イル)メトキシ]カルボニル}ピロリジン-2-カルボン酸
  • (2R,4S)-4-({[(2R,3S,4R,5R)-5-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid
Other name (1)：
  • 1-(9H-Fluorene-9-ylmethoxycarbonyl)-4α-(N-benzoyl-3′-cytidylyl)-D-proline
Thsaurus map：
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