Chem
J-GLOBAL ID：200907069797183342   Nikkaji number：J2.395.088J

3-[2-[4-[(S)-2-Amino-2-carboxyethyl]phenylcarbamoyl]ethyl]-4,4-difluoro-5,7-dimethyl-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide

3-[2-[4-[(S)-2-アミノ-2-カルボキシエチル]フェニルカルバモイル]エチル]-4,4-ジフルオロ-5,7-ジメチル-3a-アゾニア-4a-アザ-4-ボラ(V)-s-インダセン-4-イド
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： C23H25[B-]F2N3[N+]O3
Molecular formula furigana： C23-H25-B-F2-N4-O3
Molecular weight： 454.280
InChI： InChI=1S/C23H25BF2N4O3/c1-14-11-15(2)29-21(14)13-19-8-7-18(30(19)24(29,25)26)9-10-22(31)28-17-5-3-16(4-6-17)12-20(27)23(32)33/h3-8,11,13,20H,9-10,12,27H2,1-2H3,(H,28,31)(H,32,33)/t20-/m0/s1
InChI key： XJLZYPGPGFWALE-FQEVSTJZSA-N
SMILES： Cc1cc(C)n2c1C=C1C=CC(=[N+]1[B-]2(F)F)CCC(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1
Systematic name  (3)：
  • 3-[2-[4-[(S)-2-アミノ-2-カルボキシエチル]フェニルカルバモイル]エチル]-4,4-ジフルオロ-5,7-ジメチル-3a-アゾニア-4a-アザ-4-ボラ(V)-s-インダセン-4-イド
  • 12-[2-({4-[(2S)-2-アミノ-2-カルボキシエチル]フェニル}カルバモイル)エチル]-2,2-ジフルオロ-4,6-ジメチル-1λ5,3-ジアザ-2-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム-2-ウイド
  • 12-[2-({4-[(2S)-2-amino-2-carboxyethyl]phenyl}carbamoyl)ethyl]-2,2-difluoro-4,6-dimethyl-1λ5,3-diaza-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
Other name (1)：
  • 3-[2-[4-[(S)-2-Amino-2-carboxyethyl]phenylcarbamoyl]ethyl]-4,4-difluoro-5,7-dimethyl-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide
Thsaurus map：
Thesaurus Map

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