Chem
J-GLOBAL ID：201007090421408327   Nikkaji number：J2.788.043F

UR-12947

3-[[4-イソプロピル-2-(4,4′-ビピペリジン-1-イル)-5-チアゾリル]カルボニルアミノ]-N-(フェニルスルホニル)-L-アラニン
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： C26H37N5O5S2
Molecular formula furigana： C26-H37-N5-O5-S2
Molecular weight： 563.730
InChI： InChI=1S/C26H37N5O5S2/c1-17(2)22-23(37-26(29-22)31-14-10-19(11-15-31)18-8-12-27-13-9-18)24(32)28-16-21(25(33)34)30-38(35,36)20-6-4-3-5-7-20/h3-7,17-19,21,27,30H,8-16H2,1-2H3,(H,28,32)(H,33,34)/t21-/m0/s1
InChI key： MEZPFQCSPHLLNE-NRFANRHFSA-N
SMILES： CC(C)c1nc(sc1C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)N1CCC(CC1)C1CCNCC1
Systematic name  (3)：
  • 3-[[4-イソプロピル-2-(4,4′-ビピペリジン-1-イル)-5-チアゾリル]カルボニルアミノ]-N-(フェニルスルホニル)-L-アラニン
  • (2S)-2-ベンゼンスルホンアミド-3-[(2-{[4,4'-ビピペリジン]-1-イル}-4-(プロパン-2-イル)-1,3-チアゾール-5-イル)ホルムアミド]プロパン酸
  • (2S)-2-benzenesulfonamido-3-[(2-{[4,4'-bipiperidin]-1-yl}-4-(propan-2-yl)-1,3-thiazol-5-yl)formamido]propanoic acid
Other name (2)：
  • 3-[[4-Isopropyl-2-(4,4′-bipiperidine-1-yl)-5-thiazolyl]carbonylamino]-N-(phenylsulfonyl)-L-alanine
  • UR-12947
CAS registry number： 718595-27-8
KEGG COMPOUND： C14125
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