Chem
J-GLOBAL ID：201407098772406711   Nikkaji number：J3.319.759D

2-[(2R,3S)-2-Hydroxy-3-(3-tert-butylureido)-4-phenylbutyl]-4β-isopropyl-7-fluoro-2,3,4,5-tetrahydro-1,2-benzothiazepine 1,1-dioxide

2-[(2R,3S)-2-ヒドロキシ-3-(3-tert-ブチルウレイド)-4-フェニルブチル]-4β-イソプロピル-7-フルオロ-2,3,4,5-テトラヒドロ-1,2-ベンゾチアゼピン1,1-ジオキシド
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： C27H38FN3O2[O-]2[S+2]
Molecular formula furigana： C27-H38-F-N3-O4-S
Molecular weight： 519.679
InChI： InChI=1S/C27H38FN3O4S/c1-18(2)21-14-20-15-22(28)11-12-25(20)36(34,35)31(16-21)17-24(32)23(13-19-9-7-6-8-10-19)29-26(33)30-27(3,4)5/h6-12,15,18,21,23-24,32H,13-14,16-17H2,1-5H3,(H2,29,30,33)/t21-,23-,24+/m0/s1
InChI key： VQJKWPDMRXMXDB-OEMFJLHTSA-N
SMILES： CC(C)[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)NC(C)(C)C)[S+2]([O-])([O-])c2ccc(F)cc2C1
Systematic name  (3)：
  • 2-[(2R,3S)-2-ヒドロキシ-3-(3-tert-ブチルウレイド)-4-フェニルブチル]-4β-イソプロピル-7-フルオロ-2,3,4,5-テトラヒドロ-1,2-ベンゾチアゼピン1,1-ジオキシド
  • (4R)-2-[(2R,3S)-3-[(tert-ブチルカルバモイル)アミノ]-2-ヒドロキシ-4-フェニルブチル]-7-フルオロ-4-(プロパン-2-イル)-2,3,4,5-テトラヒドロ-1H-1,2-ベンゾチアゼピン-1,1-ジイウム-1,1-ビス(オラート)
  • (4R)-2-[(2R,3S)-3-[(tert-butylcarbamoyl)amino]-2-hydroxy-4-phenylbutyl]-7-fluoro-4-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,2-benzothiazepine-1,1-diium-1,1-bis(olate)
Other name (1)：
  • 2-[(2R,3S)-2-Hydroxy-3-(3-tert-butylureido)-4-phenylbutyl]-4β-isopropyl-7-fluoro-2,3,4,5-tetrahydro-1,2-benzothiazepine 1,1-dioxide
Thsaurus map：
Thesaurus Map

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