Chem
J-GLOBAL ID：200907089792152210   Nikkaji number：J2.467.299I

GRL-06579A

GRL-06579A
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： C29H40N2O7S
Molecular formula furigana： C29-H40-N2-O7-S
Molecular weight： 560.710
InChI： InChI=1S/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1
InChI key： VYBDPVQMILRSMK-GRXYLYAXSA-N
SMILES： CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)S(=O)(=O)c1ccc(CO)cc1
Systematic name  (3)：
  • N-[(1S,2R)-3-[[[4-(ヒドロキシメチル)フェニル]スルホニル](2-メチルプロピル)アミノ]-1-ベンジル-2-ヒドロキシプロピル]カルバミド酸3,3aα,4,5,6,6aα-ヘキサヒドロ-2H-シクロペンタ[b]フラン-5β-イル
  • (3aS,5R,6aR)-ヘキサヒドロ-2H-シクロペンタ[b]フラン-5-イル N-[(2S,3R)-3-ヒドロキシ-4-[N-(2-メチルプロピル)4-(ヒドロキシメチル)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
  • (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-(hydroxymethyl)benzenesulfonamido]-1-phenylbutan-2-yl]carbamate
Other name (2)：
  • N-[(1S,2R)-3-[[[4-(Hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid 3,3aα,4,5,6,6aα-hexahydro-2H-cyclopenta[b]furan-5β-yl ester
  • GRL-06579A
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