Chem
J-GLOBAL ID:201107031970678361
Nikkaji number:J2.893.924H
AZD-0837
(2S)-1-[(2R)-2-[3-クロロ-5-(ジフルオロメトキシ)フェニル]-2-ヒドロキシアセチル]-N-[4-(N-メトキシアミジノ)ベンジル]-2-アゼチジンカルボアミド
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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:
C22 H23 ClF2 N4 O5
Molecular formula furigana:
C22-H23-CL-F2-N4-O5
Molecular weight:
496.900
InChI:
InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1
InChI key:
XSNMGLZVFNDDPW-ZWKOTPCHSA-N
SMILES:
CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1
Systematic name (3):
(2S)-1-[(2R)-2-[3-クロロ-5-(ジフルオロメトキシ)フェニル]-2-ヒドロキシアセチル]-N-[4-(N-メトキシアミジノ)ベンジル]-2-アゼチジンカルボアミド
(2S)-1-[(2R)-2-[3-クロロ-5-(ジフルオロメトキシ)フェニル]-2-ヒドロキシアセチル]-N-{[4-(N-メトキシカルバムイミドイル)フェニル]メチル}アゼチジン-2-カルボキサミド
(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-{[4-(N-methoxycarbamimidoyl)phenyl]methyl}azetidine-2-carboxamide
Other name (2):
(2S)-1-[(2R)-2-[3-Chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[4-(N-methoxyamidino)benzyl]-2-azetidinecarboxamide
AZD-0837
CAS registry number:
433937-93-0
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