Chem
J-GLOBAL ID:200907049018956062   Nikkaji number:J2.543.136G

N-[1-(Cbz-Val-)-2β-Isopropyl-5-oxo-3β-pyrrolidinyl]-Ala-OBut

N-[1-(Cbz-Val-)-2β-イソプロピル-5-オキソ-3β-ピロリジニル]-Ala-OBut
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: C27H41N3O6
Molecular formula furigana: C27-H41-N3-O6
Molecular weight: 503.640
InChI: InChI=1S/C27H41N3O6/c1-16(2)22(29-26(34)35-15-19-12-10-9-11-13-19)24(32)30-21(31)14-20(23(30)17(3)4)28-18(5)25(33)36-27(6,7)8/h9-13,16-18,20,22-23,28H,14-15H2,1-8H3,(H,29,34)/t18-,20-,22-,23-/m0/s1
InChI key: JLEQJEAZZYFCQD-HMNCIZAVSA-N
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1[C@@H](C(C)C)[C@H](CC1=O)N[C@@H](C)C(=O)OC(C)(C)C
Systematic name  (3):
  • N-[1-(Cbz-Val-)-2β-イソプロピル-5-オキソ-3β-ピロリジニル]-Ala-OBut
  • tert-ブチル (2S)-2-{[(2S,3S)-1-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-3-メチルブタノイル]-5-オキソ-2-(プロパン-2-イル)ピロリジン-3-イル]アミノ}プロパノアート
  • tert-butyl (2S)-2-{[(2S,3S)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]-5-oxo-2-(propan-2-yl)pyrrolidin-3-yl]amino}propanoate
Other name (1):
  • N-[1-(Cbz-Val-)-2β-Isopropyl-5-oxo-3β-pyrrolidinyl]-Ala-OBut
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