Chem
J-GLOBAL ID:201607000110800466
Nikkaji number:J3.473.778I
N-[(1S,2R)-3-[(4-Methoxyphenylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid 3α-hydroxy-2,3,3aα,5,6,7aα-hexahydro-4H-furo[2,3-b]pyran-4β-yl ester
N-[(1S,2R)-3-[(4-メトキシ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3α-ヒドロキシ-2,3,3aα,5,6,7aα-ヘキサヒドロ-4H-フロ[2,3-b]ピラン-4β-イル
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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:
C29 H40 N2 O9 S
Molecular formula furigana:
C29-H40-N2-O9-S
Molecular weight:
592.700
InChI:
InChI=1S/C29H40N2O9S/c1-19(2)16-31(41(35,36)22-11-9-21(37-3)10-12-22)17-24(32)23(15-20-7-5-4-6-8-20)30-29(34)40-26-13-14-38-28-27(26)25(33)18-39-28/h4-12,19,23-28,32-33H,13-18H2,1-3H3,(H,30,34)/t23-,24+,25-,26-,27-,28-/m0/s1
InChI key:
BCSIHXKFONPDJO-QWGZUQTQSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCO[C@H]2OC[C@H](O)[C@@H]12
Systematic name (3):
N-[(1S,2R)-3-[(4-メトキシ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3α-ヒドロキシ-2,3,3aα,5,6,7aα-ヘキサヒドロ-4H-フロ[2,3-b]ピラン-4β-イル
(3R,3aS,4S,7aS)-3-ヒドロキシ-ヘキサヒドロ-2H-フロ[2,3-b]ピラン-4-イル N-[(2S,3R)-3-ヒドロキシ-4-[N-(2-メチルプロピル)4-メトキシ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,3aS,4S,7aS)-3-hydroxy-hexahydro-2H-furo[2,3-b]pyran-4-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-methoxybenzenesulfonamido]-1-phenylbutan-2-yl]carbamate
Other name (1):
N-[(1S,2R)-3-[(4-Methoxyphenylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid 3α-hydroxy-2,3,3aα,5,6,7aα-hexahydro-4H-furo[2,3-b]pyran-4β-yl ester
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