Chem
J-GLOBAL ID：201107061995585682   Nikkaji number：J2.992.498H

2VJ-9

N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-(シクロヘキシルアミノ)プロピル]-3-(2-オキソピロリジノ)-5-(エチルアミノ)ベンズアミド
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： C29H40N4O3
Molecular formula furigana： C29-H40-N4-O3
Molecular weight： 492.664
InChI： InChI=1S/C29H40N4O3/c1-2-30-24-17-22(18-25(19-24)33-15-9-14-28(33)35)29(36)32-26(16-21-10-5-3-6-11-21)27(34)20-31-23-12-7-4-8-13-23/h3,5-6,10-11,17-19,23,26-27,30-31,34H,2,4,7-9,12-16,20H2,1H3,(H,32,36)/t26-,27+/m0/s1
InChI key： PVDHVIVUNLQJLY-RRPNLBNLSA-N
SMILES： CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCC1=O
Systematic name  (3)：
  • N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-(シクロヘキシルアミノ)プロピル]-3-(2-オキソピロリジノ)-5-(エチルアミノ)ベンズアミド
  • N-[(2S,3R)-4-(シクロヘキシルアミノ)-3-ヒドロキシ-1-フェニルブタン-2-イル]-3-(エチルアミノ)-5-(2-オキソピロリジン-1-イル)ベンズアミド
  • N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Other name (2)：
  • N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(cyclohexylamino)propyl]-3-(2-oxopyrrolizino)-5-(ethylamino)benzamide
  • 2VJ-9
Thsaurus map：
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