Chem
J-GLOBAL ID：200907051329273354   Nikkaji number：J1.836.112D

N-[4-(2-Hydroxy-2-oxoethylaminocarbonyl)benzoyl]-L-Val-L-Pro-[(1S)-1-isopropyl-2-oxo-3,3,3-trifluoropropyl]NH2

N-[4-(2-ヒドロキシ-2-オキソエチルアミノカルボニル)ベンゾイル]-L-Val-L-Pro-[(1S)-1-イソプロピル-2-オキソ-3,3,3-トリフルオロプロピル]NH2
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： C26H33F3N4O7
Molecular formula furigana： C26-H33-F3-N4-O7
Molecular weight： 570.566
InChI： InChI=1S/C26H33F3N4O7/c1-13(2)19(21(36)26(27,28)29)31-24(39)17-6-5-11-33(17)25(40)20(14(3)4)32-23(38)16-9-7-15(8-10-16)22(37)30-12-18(34)35/h7-10,13-14,17,19-20H,5-6,11-12H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,34,35)/t17-,19-,20-/m0/s1
InChI key： MRTSIBBMOWLRPY-IHPCNDPISA-N
SMILES： CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Systematic name  (3)：
  • N-[4-(2-ヒドロキシ-2-オキソエチルアミノカルボニル)ベンゾイル]-L-Val-L-Pro-[(1S)-1-イソプロピル-2-オキソ-3,3,3-トリフルオロプロピル]NH2
  • 2-[(4-{[(2S)-3-メチル-1-オキソ-1-[(2S)-2-{[(3S)-1,1,1-トリフルオロ-4-メチル-2-オキソペンタン-3-イル]カルバモイル}ピロリジン-1-イル]ブタン-2-イル]カルバモイル}フェニル)ホルムアミド]酢酸
  • 2-[(4-{[(2S)-3-methyl-1-oxo-1-[(2S)-2-{[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl}pyrrolidin-1-yl]butan-2-yl]carbamoyl}phenyl)formamido]acetic acid
Other name (1)：
  • N-[4-(2-Hydroxy-2-oxoethylaminocarbonyl)benzoyl]-L-Val-L-Pro-[(1S)-1-isopropyl-2-oxo-3,3,3-trifluoropropyl]NH2
Thsaurus map：
Thesaurus Map

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