Chem
J-GLOBAL ID:200907075689252273
Nikkaji number:J2.524.313G
2′-epi-Mugineic acid
2′-epi-ムギネ酸
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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:
C12 H20 N2 O8
Molecular formula furigana:
C12-H20-N2-O8
Molecular weight:
320.298
InChI:
InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8+,9-/m0/s1
InChI key:
GJRGEVKCJPPZIT-MAUMQABQSA-N
SMILES:
O[C@H](CN1CC[C@H]1C(=O)O)[C@H](NCC[C@H](O)C(=O)O)C(=O)O
Systematic name (3):
(S)-4-[[(1S,2R)-3-[(2S)-2-カルボキシアゼチジン-1-イル]-2-ヒドロキシ-1-カルボキシプロピル]アミノ]-2-ヒドロキシブタン酸
(2S)-1-[(2R,3S)-3-カルボキシ-3-{[(3S)-3-カルボキシ-3-ヒドロキシプロピル]アミノ}-2-ヒドロキシプロピル]アゼチジン-2-カルボン酸
(2S)-1-[(2R,3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}-2-hydroxypropyl]azetidine-2-carboxylic acid
Other name (3):
(S)-4-[[(1S,2R)-3-[(2S)-2-Carboxyazetidine-1-yl]-2-hydroxy-1-carboxypropyl]amino]-2-hydroxybutanoic acid
2′-epi-ムギネ酸
2′-epi-Mugineic acid
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