Chem
J-GLOBAL ID：200907031800390640   Nikkaji number：J1.430.786I

Suc(OMe)-Ala-Ala-Pro-Val-MCA

4-メチル-7-[N-(1,4-ジオキソ-4-メトキシブチル)-L-Ala-L-Ala-L-Pro-L-Val-アミノ]-2H-1-ベンゾピラン-2-オン
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： C31H41N5O9
Molecular formula furigana： C31-H41-N5-O9
Molecular weight： 627.695
InChI： InChI=1S/C31H41N5O9/c1-16(2)27(30(42)34-20-9-10-21-17(3)14-26(39)45-23(21)15-20)35-29(41)22-8-7-13-36(22)31(43)19(5)33-28(40)18(4)32-24(37)11-12-25(38)44-6/h9-10,14-16,18-19,22,27H,7-8,11-13H2,1-6H3,(H,32,37)(H,33,40)(H,34,42)(H,35,41)/t18-,19-,22-,27-/m0/s1
InChI key： CMEUDEVBFFPSEI-NFHWZJRKSA-N
SMILES： COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
Systematic name  (5)：
  • 4-メチル-7-[N-(1,4-ジオキソ-4-メトキシブチル)-L-Ala-L-Ala-L-Pro-L-Val-アミノ]-2H-1-ベンゾピラン-2-オン
  • N-(4-メトキシ-1,4-ジオキソブチル)-L-Ala-L-Ala-L-Pro-L-Val-(4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル)NH2
  • Nα-[N-(4-メトキシ-1,4-ジオキソブチル)-L-Ala-L-Ala-L-Pro-]-N-(4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル)-L-バリンアミド
  • メチル 3-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-メチル-1-[(4-メチル-2-オキソ-2H-クロメン-7-イル)カルバモイル]プロピル]カルバモイル}ピロリジン-1-イル]-1-オキソプロパン-2-イル]カルバモイル}エチル]カルバモイル}プロパノアート
  • methyl 3-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-2-methyl-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}propanoate
Other name (4)：
  • 4-Methyl-7-[N-(1,4-dioxo-4-methoxybutyl)-L-Ala-L-Ala-L-Pro-L-Val-amino]-2H-1-benzopyran-2-one
  • N-(4-Methoxy-1,4-dioxobutyl)-L-Ala-L-Ala-L-Pro-L-Val-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)NH2
  • Suc(OMe)-Ala-Ala-Pro-Val-MCA
  • Nα-[N-(4-Methoxy-1,4-dioxobutyl)-L-Ala-L-Ala-L-Pro-]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-valinamide
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