Chem
J-GLOBAL ID：201907019645776305
Nikkaji number：J3.740.286I
(2S)-2-[3-(4′-ブチルアゾベンゼン-4-イルオキシ)プロパノイルアミノ]プロパン酸
(2S)-2-[3-(4′-ブチルアゾベンゼン-4-イルオキシ)プロパノイルアミノ]プロパン酸
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
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
Molecular formula： C22H27N3O4
Molecular formula furigana： C22-H27-N3-O4
Molecular weight： 397.475
InChI：
InChI=1S/C22H27N3O4/c1-3-4-5-17-6-8-18(9-7-17)24-25-19-10-12-20(13-11-19)29-15-14-21(26)23-16(2)22(27)28/h6-13,16H,3-5,14-15H2,1-2H3,(H,23,26)(H,27,28)/b25-24+/t16-/m0/s1
InChI key：
XQOUAMQNEJLHMY-UPCARPLXSA-N
SMILES：
C(=O)([C@H](C)NC(=O)CCOc1ccc(cc1)/N=N/c1ccc(cc1)CCCC)O
Systematic name (3)：
- (2S)-2-[3-(4′-ブチルアゾベンゼン-4-イルオキシ)プロパノイルアミノ]プロパン酸
- (2S)-2-(3-{4-[(1E)-2-(4-ブチルフェニル)ジアゼン-1-イル]フェノキシ}プロパンアミド)プロパン酸
- (2S)-2-(3-{4-[(1E)-2-(4-butylphenyl)diazen-1-yl]phenoxy}propanamido)propanoic acid
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