Chem
J-GLOBAL ID：201507015328698140   Nikkaji number：J3.437.159H

Cefiderocol

セフィデロコル
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： C30H33ClN6[N+]O8[O-]2S2
Molecular formula furigana： C30-H33-CL-N7-O10-S2
Molecular weight： 751.200
InChI： InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/p-1/t20-,26-/m1/s1
InChI key： DBPPRLRVDVJOCL-FQRUVTKNSA-M
SMILES： CC(C)(O/N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]1(CCNC(=O)c2ccc(O)c(O)c2Cl)CCCC1)/c1csc(N)n1)C(=O)[O-]
Systematic name  (3)：
  • (6R,7R)-7-[[(Z)-(2-アミノ-4-チアゾリル)[(1-カルボキシ-1-メチルエトキシ)イミノ]アセチル]アミノ]-8-オキソ-3-[1-[2-[(2-クロロ-3,4-ジヒドロキシベンゾイル)アミノ]エチル]ピロリジニオメチル]-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-2-カルボキシラート
  • 1-{[(6R,7R)-7-[(2Z)-2-(2-アミノ-1,3-チアゾール-4-イル)-2-[(1-カルボキシラト-1-メチルエトキシ)イミノ]アセトアミド]-2-カルボキシラト-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-3-イル]メチル}-1-{2-[(2-クロロ-3,4-ジヒドロキシフェニル)ホルムアミド]エチル}ピロリジン-1-イウム
  • 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxylato-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-{2-[(2-chloro-3,4-dihydroxyphenyl)formamido]ethyl}pyrrolidin-1-ium
Other name (6)：
  • S-649266
  • (6R,7R)-7-[[(Z)-(2-Amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl]amino]-8-oxo-3-[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidiniomethyl]-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylate
  • セフィデロコル
  • セフィデロコール
  • Cefiderocol
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