Chem
J-GLOBAL ID:200907000768589186
Nikkaji number:J1.419.158E
(4aR)-2-Methyl-4-carbamoyl-6α-hydroxy-7α-[[(S)-3-methylpentanoyl]sulfamoylacetylamino]-2,4aβ,5,6,7,7aβ-hexahydro-1H-2-pyrindine-7β-carboxylic acid methyl ester
(4aR)-2-メチル-4-カルバモイル-6α-ヒドロキシ-7α-[[(S)-3-メチルペンタノイル]スルファモイルアセチルアミノ]-2,4aβ,5,6,7,7aβ-ヘキサヒドロ-1H-2-ピリンジン-7β-カルボン酸メチル
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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:
C20 H32 N4 O8 S
Molecular formula furigana:
C20-H32-N4-O8-S
Molecular weight:
488.560
InChI:
InChI=1S/C20H32N4O8S/c1-5-11(2)6-16(26)23-33(30,31)10-17(27)22-20(19(29)32-4)14-9-24(3)8-13(18(21)28)12(14)7-15(20)25/h8,11-12,14-15,25H,5-7,9-10H2,1-4H3,(H2,21,28)(H,22,27)(H,23,26)/t11-,12-,14+,15-,20+/m0/s1
InChI key:
CZYJMSQOUCYNFT-KZOCLIRJSA-N
SMILES:
CC[C@H](C)CC(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(=O)N)C(=O)OC
Systematic name (3):
(4aR)-2-メチル-4-カルバモイル-6α-ヒドロキシ-7α-[[(S)-3-メチルペンタノイル]スルファモイルアセチルアミノ]-2,4aβ,5,6,7,7aβ-ヘキサヒドロ-1H-2-ピリンジン-7β-カルボン酸メチル
メチル (4aR,6S,7R,7aS)-4-カルバモイル-6-ヒドロキシ-2-メチル-7-(2-{[(3S)-3-メチルペンタンアミド]スルホニル}アセトアミド)-1H,2H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピリジン-7-カルボキシラート
methyl (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-7-(2-{[(3S)-3-methylpentanamido]sulfonyl}acetamido)-1H,2H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyridine-7-carboxylate
Other name (1):
(4aR)-2-Methyl-4-carbamoyl-6α-hydroxy-7α-[[(S)-3-methylpentanoyl]sulfamoylacetylamino]-2,4aβ,5,6,7,7aβ-hexahydro-1H-2-pyrindine-7β-carboxylic acid methyl ester
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