Chem
J-GLOBAL ID：201007027334556910   Nikkaji number：J2.827.615J

KNI-10737

(4R)-N-[(1S,2R)-2-ヒドロキシインダン-1-イル]-3-[(2S,3S)-2-ヒドロキシ-3-[2-[2,6-ジメチル-4-[(2-アミノエチル)アミノ]フェノキシ]アセチルアミノ]-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： C37H47N5O6S
Molecular formula furigana： C37-H47-N5-O6-S
Molecular weight： 689.870
InChI： InChI=1S/C37H47N5O6S/c1-22-16-26(39-15-14-38)17-23(2)33(22)48-20-30(44)40-28(18-24-10-6-5-7-11-24)32(45)36(47)42-21-49-37(3,4)34(42)35(46)41-31-27-13-9-8-12-25(27)19-29(31)43/h5-13,16-17,28-29,31-32,34,39,43,45H,14-15,18-21,38H2,1-4H3,(H,40,44)(H,41,46)/t28-,29+,31-,32-,34+/m0/s1
InChI key： KGNXIOMLRKTRJD-ZYOXRPPDSA-N
SMILES： Cc1cc(NCCN)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Systematic name  (3)：
  • (4R)-N-[(1S,2R)-2-ヒドロキシインダン-1-イル]-3-[(2S,3S)-2-ヒドロキシ-3-[2-[2,6-ジメチル-4-[(2-アミノエチル)アミノ]フェノキシ]アセチルアミノ]-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-(2-{4-[(2-アミノエチル)アミノ]-2,6-ジメチルフェノキシ}アセトアミド)-2-ヒドロキシ-4-フェニルブタノイル]-N-[(1S,2R)-2-ヒドロキシ-2,3-ジヒドロ-1H-インデン-1-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-(2-{4-[(2-aminoethyl)amino]-2,6-dimethylphenoxy}acetamido)-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Other name (2)：
  • (4R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-2-hydroxy-3-[2-[2,6-dimethyl-4-[(2-aminoethyl)amino]phenoxy]acetylamino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide
  • KNI-10737
Thsaurus map：
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