Chem
J-GLOBAL ID:200907025132818650   Nikkaji number:J2.226.029D

(2S)-1-[(3R)-3-[[(2S)-1-[3-(Benzyloxycarbonylamino)propyl]-2-pyrrolidinyl]carbonylamino]-4-phenylbutyl]pyrrolidine-2-carboxylic acid methyl ester

(2S)-1-[(3R)-3-[[(2S)-1-[3-(ベンジルオキシカルボニルアミノ)プロピル]-2-ピロリジニル]カルボニルアミノ]-4-フェニルブチル]ピロリジン-2-カルボン酸メチル
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: C32H44N4O5
Molecular formula furigana: C32-H44-N4-O5
Molecular weight: 564.727
InChI: InChI=1S/C32H44N4O5/c1-40-31(38)29-16-9-20-36(29)22-17-27(23-25-11-4-2-5-12-25)34-30(37)28-15-8-19-35(28)21-10-18-33-32(39)41-24-26-13-6-3-7-14-26/h2-7,11-14,27-29H,8-10,15-24H2,1H3,(H,33,39)(H,34,37)/t27-,28-,29-/m0/s1
InChI key: SEJNENBNNZEGMB-AWCRTANDSA-N
SMILES: COC(=O)[C@@H]1CCCN1CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1CCCNC(=O)OCc1ccccc1
Systematic name  (3):
  • (2S)-1-[(3R)-3-[[(2S)-1-[3-(ベンジルオキシカルボニルアミノ)プロピル]-2-ピロリジニル]カルボニルアミノ]-4-フェニルブチル]ピロリジン-2-カルボン酸メチル
  • メチル (2S)-1-[(3R)-3-{[(2S)-1-(3-{[(ベンジルオキシ)カルボニル]アミノ}プロピル)ピロリジン-2-イル]ホルムアミド}-4-フェニルブチル]ピロリジン-2-カルボキシラート
  • methyl (2S)-1-[(3R)-3-{[(2S)-1-(3-{[(benzyloxy)carbonyl]amino}propyl)pyrrolidin-2-yl]formamido}-4-phenylbutyl]pyrrolidine-2-carboxylate
Other name (1):
  • (2S)-1-[(3R)-3-[[(2S)-1-[3-(Benzyloxycarbonylamino)propyl]-2-pyrrolidinyl]carbonylamino]-4-phenylbutyl]pyrrolidine-2-carboxylic acid methyl ester
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