Chem
J-GLOBAL ID:200907059557336847
Nikkaji number:J1.304.022B
BMS-961
3-フルオロ-4-[(2S)-2-ヒドロキシ-2-(5,5,8,8-テトラメチル-5,6,7,8-テトラヒドロナフタレン-2-イル)アセトアミド]安息香酸
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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:
C23 H26 FNO4
Molecular formula furigana:
C23-H26-F-N-O4
Molecular weight:
399.462
InChI:
InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1
InChI key:
AANFHDFOMFRLLR-IBGZPJMESA-N
SMILES:
CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)C(=O)Nc1ccc(cc1F)C(=O)O
Systematic name (3):
4-[[(S)-2-(5,6,7,8-テトラヒドロ5,5,8,8-テトラメチルナフタレン-2-イル)-2-ヒドロキシアセチル]アミノ]-3-フルオロ安息香酸
3-フルオロ-4-[(2S)-2-ヒドロキシ-2-(5,5,8,8-テトラメチル-5,6,7,8-テトラヒドロナフタレン-2-イル)アセトアミド]安息香酸
3-fluoro-4-[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetamido]benzoic acid
Other name (2):
4-[[(S)-2-(5,6,7,8-Tetrahydro5,5,8,8-tetramethylnaphthalene-2-yl)-2-hydroxyacetyl]amino]-3-fluorobenzoic acid
BMS-961
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