Chem
J-GLOBAL ID：200907040879622281
Nikkaji number：J2.151.445D
TMC-181568
N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[イソブチル[(4-アミノフェニル)スルホニル]アミノ]プロピル]カルバミド酸[(3R,3aα,6aα)-ヘキサヒドロフロ[2,3-b]フラン-3α-イル]
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
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
Molecular formula： C27H37N3O7S
Molecular formula furigana： C27-H37-N3-O7-S
Molecular weight： 547.670
InChI：
InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23+,24-,25+,26+/m1/s1
InChI key：
CJBJHOAVZSMMDJ-NRWDCXGPSA-N
SMILES：
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]12)S(=O)(=O)c1ccc(N)cc1
Systematic name (3)：
- N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[イソブチル[(4-アミノフェニル)スルホニル]アミノ]プロピル]カルバミド酸[(3R,3aα,6aα)-ヘキサヒドロフロ[2,3-b]フラン-3α-イル]
- (3R,3aR,6aS)-ヘキサヒドロフロ[2,3-b]フラン-3-イル N-[(2S,3R)-3-ヒドロキシ-4-[N-(2-メチルプロピル)4-アミノベンゼンスルホンアミド]-1-フェニルブタン-2-イル]カルバマート
- (3R,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate
- N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-aminophenyl)sulfonyl]amino]propyl]carbamic acid [(3R,3aα,6aα)-hexahydrofuro[2,3-b]furan-3α-yl] ester
- TMC-181568
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