Chem
J-GLOBAL ID:200907048654646247   Nikkaji number:J2.662.342A

(2S)-N-Methyl-1-[2-[(1-trityl-4-imidazolyl)methyl]-3-[(1-amino-4-methoxy-4-oxobutyl)phosphonyl]propanoyl]pyrrolidine-2-carboxamide

(2S)-N-メチル-1-[2-[(1-トリチル-4-イミダゾリル)メチル]-3-[(1-アミノ-4-メトキシ-4-オキソブチル)ホスホニル]プロパノイル]ピロリジン-2-カルボアミド
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: C37H44N5O6P
Molecular formula furigana: C37-H44-N5-O6-P
Molecular weight: 685.762
InChI: InChI=1S/C37H44N5O6P/c1-39-35(44)32-19-12-22-42(32)36(45)27(25-49(46,47)33(38)20-21-34(43)48-2)23-31-24-41(26-40-31)37(28-13-6-3-7-14-28,29-15-8-4-9-16-29)30-17-10-5-11-18-30/h3-11,13-18,24,26-27,32-33H,12,19-23,25,38H2,1-2H3,(H,39,44)(H,46,47)/t27?,32-,33?/m0/s1
InChI key: ZPZBRGGVQGPSOZ-YKBKWMQYSA-N
SMILES: CNC(=O)[C@@H]1CCCN1C(=O)C(Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)CP(=O)(O)C(N)CCC(=O)OC
Systematic name  (3):
  • (2S)-N-メチル-1-[2-[(1-トリチル-4-イミダゾリル)メチル]-3-[(1-アミノ-4-メトキシ-4-オキソブチル)ホスホニル]プロパノイル]ピロリジン-2-カルボアミド
  • (1-アミノ-4-メトキシ-4-オキソブチル)({3-[(2S)-2-(メチルカルバモイル)ピロリジン-1-イル]-3-オキソ-2-{[1-(トリフェニルメチル)-1H-イミダゾール-4-イル]メチル}プロピル})ホスフィン酸
  • (1-amino-4-methoxy-4-oxobutyl)({3-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxo-2-{[1-(triphenylmethyl)-1H-imidazol-4-yl]methyl}propyl})phosphinic acid
Other name (1):
  • (2S)-N-Methyl-1-[2-[(1-trityl-4-imidazolyl)methyl]-3-[(1-amino-4-methoxy-4-oxobutyl)phosphonyl]propanoyl]pyrrolidine-2-carboxamide
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