Chem
J-GLOBAL ID：201007015917341131   Nikkaji number：J2.867.404J

KNI-10681

(4R)-N-[(1R)-1,2-ジメチルプロピル]-3-[(2S,3S)-2-ヒドロキシ-3-[(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： C35H51N5O5S
Molecular formula furigana： C35-H51-N5-O5-S
Molecular weight： 653.880
InChI： InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1
InChI key： XTWLQNQBRIPIED-OBXVIOLMSA-N
SMILES： CC(C)[C@@H](C)NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)c1ccccc1)C(C)(C)C
Systematic name  (3)：
  • (4R)-N-[(1R)-1,2-ジメチルプロピル]-3-[(2S,3S)-2-ヒドロキシ-3-[(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)-2-[(2S)-2-アミノ-2-フェニルアセトアミド]-3,3-ジメチルブタンアミド]-2-ヒドロキシ-4-フェニルブタノイル]-5,5-ジメチル-N-[(2R)-3-メチルブタン-2-イル]-1,3-チアゾリジン-4-カルボキサミド
  • (4R)-3-[(2S,3S)-3-[(2S)-2-[(2S)-2-amino-2-phenylacetamido]-3,3-dimethylbutanamido]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • (4R)-N-[(1R)-1,2-Dimethylpropyl]-3-[(2S,3S)-2-hydroxy-3-[(2-phenyl-L-Gly-3-methyl-L-Val-)amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-10681
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