Chem
J-GLOBAL ID：201107082655514826   Nikkaji number：J2.992.505D

2WF-3

N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[(3-メトキシベンジル)アミノ]プロピル]-1-メチル-6-(エチルアミノ)-1,3,4,5-テトラヒドロ-2,1-ベンゾチアゼピン-8-カルボアミド2,2-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： C31H40N4O3[O-]2[S+2]
Molecular formula furigana： C31-H40-N4-O5-S
Molecular weight： 580.740
InChI： InChI=1S/C31H40N4O5S/c1-4-33-27-18-24(19-29-26(27)14-9-15-41(38,39)35(29)2)31(37)34-28(17-22-10-6-5-7-11-22)30(36)21-32-20-23-12-8-13-25(16-23)40-3/h5-8,10-13,16,18-19,28,30,32-33,36H,4,9,14-15,17,20-21H2,1-3H3,(H,34,37)/t28-,30+/m0/s1
InChI key： JAQQVYMOVUUAHB-MFMCTBQISA-N
SMILES： CCNc1cc(cc2N(C)[S+2]([O-])([O-])CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
Systematic name  (3)：
  • N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[(3-メトキシベンジル)アミノ]プロピル]-1-メチル-6-(エチルアミノ)-1,3,4,5-テトラヒドロ-2,1-ベンゾチアゼピン-8-カルボアミド2,2-ジオキシド
  • 6-(エチルアミノ)-8-{[(2S,3R)-3-ヒドロキシ-4-{[(3-メトキシフェニル)メチル]アミノ}-1-フェニルブタン-2-イル]カルバモイル}-1-メチル-2,3,4,5-テトラヒドロ-1H-2,1-ベンゾチアゼピン-2,2-ジイウム-2,2-ビス(オラート)
  • 6-(ethylamino)-8-{[(2S,3R)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-1-methyl-2,3,4,5-tetrahydro-1H-2,1-benzothiazepine-2,2-diium-2,2-bis(olate)
Other name (2)：
  • N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl]-1-methyl-6-(ethylamino)-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide
  • 2WF-3
Thsaurus map：
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