Chem
J-GLOBAL ID：200907007256066240   Nikkaji number：J2.711.864J

Carfilzomib

カルフィルゾミブ
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： C40H57N5O7
Molecular formula furigana： C40-H57-N5-O7
Molecular weight： 719.924
InChI： InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
InChI key： BLMPQMFVWMYDKT-NZTKNTHTSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Systematic name  (4)：
  • N-(モルホリノアセチル)-4-フェニル-L-Abu-L-Leu-L-Phe-[(S)-3-メチル-1-[[(R)-2-メチルオキシラニル]カルボニル]ブチル]NH2
  • (2R)-2-メチル-2-[N-[(2S)-2-[(モルホリノアセチル)アミノ]-4-フェニルブチリル]-L-Leu-L-Phe-L-Leu-]オキシラン
  • (2S)-4-メチル-N-[(1S)-1-{[(2S)-4-メチル-1-[(2R)-2-メチルオキシラン-2-イル]-1-オキソペンタン-2-イル]カルバモイル}-2-フェニルエチル]-2-[(2S)-2-[2-(モルホリン-4-イル)アセトアミド]-4-フェニルブタンアミド]ペンタンアミド
  • (2S)-4-methyl-N-[(1S)-1-{[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-[(2S)-2-[2-(morpholin-4-yl)acetamido]-4-phenylbutanamido]pentanamide
Other name (5)：
  • N-(Morpholinoacetyl)-4-phenyl-L-Abu-L-Leu-L-Phe-[(S)-3-methyl-1-[[(R)-2-methyloxiranyl]carbonyl]butyl]NH2
  • カルフィルゾミブ
  • Carfilzomib
  • PR-171
  • (2R)-2-Methyl-2-[N-[(2S)-2-[(morpholinoacetyl)amino]-4-phenylbutyryl]-L-Leu-L-Phe-L-Leu-]oxirane
CAS registry number： 868540-17-4
KEGG DRUG： D08880
Application (1)：
antitumor drug
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