Chem
J-GLOBAL ID:200907059558210847
Nikkaji number:J2.356.560I
GRL-02031
GRL-02031
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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:
C30 H39 N3 O8 S
Molecular formula furigana:
C30-H39-N3-O8-S
Molecular weight:
601.720
InChI:
InChI=1S/C30H39N3O8S/c1-39-23-8-10-25(11-9-23)42(37,38)33(18-22-7-12-29(35)31-22)19-27(34)26(15-20-5-3-2-4-6-20)32-30(36)41-24-16-21-13-14-40-28(21)17-24/h2-6,8-11,21-22,24,26-28,34H,7,12-19H2,1H3,(H,31,35)(H,32,36)/t21-,22+,24+,26-,27+,28+/m0/s1
InChI key:
RPIALZPTIFOQGC-CXLNPQPMSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@@H]2CCO[C@@H]2C1)C[C@H]1CCC(=O)N1
Systematic name (3):
N-[(1S,2R)-3-[[(4-メトキシフェニル)スルホニル](5-オキソピロリジン-2β-イルメチル)アミノ]-1-ベンジル-2-ヒドロキシプロピル]カルバミド酸[(1R,5S,7R)-2-オキサビシクロ[3.3.0]オクタン-7-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-{[(2R)-5-オキソピロリジン-2-イル]メチル}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
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl N-[(2S,3R)-3-hydroxy-4-(N-{[(2R)-5-oxopyrrolidin-2-yl]methyl}4-methoxybenzenesulfonamido)-1-phenylbutan-2-yl]carbamate
Other name (2):
N-[(1S,2R)-3-[[(4-Methoxyphenyl)sulfonyl](5-oxopyrrolidine-2β-ylmethyl)amino]-1-benzyl-2-hydroxypropyl]carbamic acid [(1R,5S,7R)-2-oxabicyclo[3.3.0]octane-7-yl] ester
GRL-02031
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