Chem
J-GLOBAL ID:201007063988927280
Nikkaji number:J2.801.265I
TAK-442
1-{1-[(2S)-3-[(6-クロロナフタレン-2-イル)スルホニル]-2-ヒドロキシプロパノイル]ピペリジン-4-イル}-1,3-ジアジナン-2-オン
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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:
C22 H26 ClN3 O5 S
Molecular formula furigana:
C22-H26-CL-N3-O5-S
Molecular weight:
479.980
InChI:
InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
InChI key:
GEHAEMCVKDPMKO-HXUWFJFHSA-N
SMILES:
O[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(CC1)N1CCCNC1=O
Systematic name (3):
3-[1-[(2S)-2-ヒドロキシ-3-[(6-クロロ-2-ナフチル)スルホニル]プロパノイル]-4-ピペリジニル]3,4,5,6-テトラヒドロ-2(1H)-ピリミジノン
1-{1-[(2S)-3-[(6-クロロナフタレン-2-イル)スルホニル]-2-ヒドロキシプロパノイル]ピペリジン-4-イル}-1,3-ジアジナン-2-オン
1-{1-[(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl]piperidin-4-yl}-1,3-diazinan-2-one
Other name (2):
3-[1-[(2S)-2-Hydroxy-3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl]-4-piperidinyl]3,4,5,6-tetrahydro-2(1H)-pyrimidinone
TAK-442
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