Chem
J-GLOBAL ID:201607014723892127
Nikkaji number:J3.480.288B
2,2′-[[(1R,2R)-1,2-Bis(4-methoxyphenyl)ethylene]bisimino]bis[(2S)-3-methyl-1-butanol]
2,2′-[[(1R,2R)-1,2-ビス(4-メトキシフェニル)エチレン]ビスイミノ]ビス[(2S)-3-メチル-1-ブタノール]
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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:
C26 H40 N2 O4
Molecular formula furigana:
C26-H40-N2-O4
Molecular weight:
444.616
InChI:
InChI=1S/C26H40N2O4/c1-17(2)23(15-29)27-25(19-7-11-21(31-5)12-8-19)26(28-24(16-30)18(3)4)20-9-13-22(32-6)14-10-20/h7-14,17-18,23-30H,15-16H2,1-6H3/t23-,24-,25-,26-/m1/s1
InChI key:
XKRXSSCDVFSZRS-VEYUFSJPSA-N
SMILES:
COc1ccc(cc1)[C@@H](N[C@H](CO)C(C)C)[C@H](N[C@H](CO)C(C)C)c1ccc(OC)cc1
Systematic name (3):
2,2′-[[(1R,2R)-1,2-ビス(4-メトキシフェニル)エチレン]ビスイミノ]ビス[(2S)-3-メチル-1-ブタノール]
(2S)-2-{[(1R,2R)-2-{[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}-1,2-ビス(4-メトキシフェニル)エチル]アミノ}-3-メチルブタン-1-オール
(2S)-2-{[(1R,2R)-2-{[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}-1,2-bis(4-methoxyphenyl)ethyl]amino}-3-methylbutan-1-ol
Other name (1):
2,2′-[[(1R,2R)-1,2-Bis(4-methoxyphenyl)ethylene]bisimino]bis[(2S)-3-methyl-1-butanol]
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