Chem
J-GLOBAL ID：201707021210544186
Nikkaji number：J3.584.883E
3-(4-Hydroxyphenyl)-2-[[[1-[[(S)-1-carboxy-2-phenylethyl]aminocarbonyl]amino-1H-1,2,3-triazole-5-yl]methyl]oxy]iminopropionic acid
3-(4-ヒドロキシフェニル)-2-[[[1-[[(S)-1-カルボキシ-2-フェニルエチル]アミノカルボニル]アミノ-1H-1,2,3-トリアゾール-5-イル]メチル]オキシ]イミノプロピオン酸
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： C22H22N6O7
Molecular formula furigana： C22-H22-N6-O7
Molecular weight： 482.453
InChI：
InChI=1S/C22H22N6O7/c29-17-8-6-15(7-9-17)11-19(21(32)33)26-35-13-16-12-23-27-28(16)25-22(34)24-18(20(30)31)10-14-4-2-1-3-5-14/h1-9,12,18,29H,10-11,13H2,(H,30,31)(H,32,33)(H2,24,25,34)/t18-/m0/s1
InChI key：
UGTATEMLTKEGTD-SFHVURJKSA-N
SMILES：
OC(=O)[C@H](Cc1ccccc1)NC(=O)Nn1nncc1CON=C(Cc1ccc(O)cc1)C(=O)O
Systematic name (3)：
- 3-(4-ヒドロキシフェニル)-2-[[[1-[[(S)-1-カルボキシ-2-フェニルエチル]アミノカルボニル]アミノ-1H-1,2,3-トリアゾール-5-イル]メチル]オキシ]イミノプロピオン酸
- (2S)-2-[({5-[({[1-カルボキシ-2-(4-ヒドロキシフェニル)エチリデン]アミノ}オキシ)メチル]-1H-1,2,3-トリアゾール-1-イル}カルバモイル)アミノ]-3-フェニルプロパン酸
- (2S)-2-[({5-[({[1-carboxy-2-(4-hydroxyphenyl)ethylidene]amino}oxy)methyl]-1H-1,2,3-triazol-1-yl}carbamoyl)amino]-3-phenylpropanoic acid
- 3-(4-Hydroxyphenyl)-2-[[[1-[[(S)-1-carboxy-2-phenylethyl]aminocarbonyl]amino-1H-1,2,3-triazole-5-yl]methyl]oxy]iminopropionic acid
Return to Previous Page
