Chem
J-GLOBAL ID：201007057478747791   Nikkaji number：J2.867.406F

KNI-10729

(4R)-N-[(1R)-1,2,2-トリメチルプロピル]-3-[(2S,3S)-2-ヒドロキシ-3-[[N-(モルホリノアセチル)-2-フェニル-L-Gly-3-メチル-L-Val-]アミノ]-4-フェニルブチリル]-5,5-ジメチルチアゾリジン-4-カルボアミド
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： C42H62N6O7S
Molecular formula furigana： C42-H62-N6-O7-S
Molecular weight： 795.050
InChI： InChI=1S/C42H62N6O7S/c1-27(40(2,3)4)43-38(53)35-42(8,9)56-26-48(35)39(54)33(50)30(24-28-16-12-10-13-17-28)44-37(52)34(41(5,6)7)46-36(51)32(29-18-14-11-15-19-29)45-31(49)25-47-20-22-55-23-21-47/h10-19,27,30,32-35,50H,20-26H2,1-9H3,(H,43,53)(H,44,52)(H,45,49)(H,46,51)/t27-,30+,32+,33+,34-,35-/m1/s1
InChI key： SJJQJWGUMHGALA-UOFFPLLDSA-N
SMILES： C[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN1CCOCC1)c1ccccc1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • (4R)-N-[(1R)-1,2,2-トリメチルプロピル]-3-[(2S,3S)-2-ヒドロキシ-3-[[N-(モルホリノアセチル)-2-フェニル-L-Gly-3-メチル-L-Val-]アミノ]-4-フェニルブチリル]-5,5-ジメチルチアゾリジン-4-カルボアミド
  • (4R)-3-[(2S,3S)-3-[(2S)-3,3-ジメチル-2-[(2S)-2-[2-(モルホリン-4-イル)アセトアミド]-2-フェニルアセトアミド]ブタンアミド]-2-ヒドロキシ-4-フェニルブタノイル]-N-[(2R)-3,3-ジメチルブタン-2-イル]-5,5-ジメチル-1,3-チアゾリジン-4-カルボキサミド
  • (4R)-3-[(2S,3S)-3-[(2S)-3,3-dimethyl-2-[(2S)-2-[2-(morpholin-4-yl)acetamido]-2-phenylacetamido]butanamido]-2-hydroxy-4-phenylbutanoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • (4R)-N-[(1R)-1,2,2-Trimethylpropyl]-3-[(2S,3S)-2-hydroxy-3-[[N-(morpholinoacetyl)-2-phenyl-L-Gly-3-methyl-L-Val-]amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-10729
Thsaurus map：
Thesaurus Map

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