Chem
J-GLOBAL ID:201007011424295046
Nikkaji number:J2.785.803A
(S)-F-Willardiine
(S)-F-ウィラルジイン
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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:
C7 H10 FN3 O4
Molecular formula furigana:
C7-H10-F-N3-O4
Molecular weight:
219.172
InChI:
InChI=1S/C7H10FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4,7,15H,2,9H2,(H,10,12)(H,13,14)/t4-,7?/m0/s1
InChI key:
YIBVSVWKLVBIKS-LRYVRFSDSA-N
SMILES:
N[C@@H](CN1C=C(F)C(=O)NC1O)C(=O)O
Systematic name (3):
(2S)-2-アミノ-3-(5-フルオロ-2-ヒドロキシ-1,2,3,4-テトラヒドロ-4-オキソピリミジン-1-イル)プロパン酸
(2S)-2-アミノ-3-(5-フルオロ-2-ヒドロキシ-4-オキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)プロパン酸
(2S)-2-amino-3-(5-fluoro-2-hydroxy-4-oxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
Other name (3):
(2S)-2-Amino-3-(5-fluoro-2-hydroxy-1,2,3,4-tetrahydro-4-oxopyrimidine-1-yl)propanoic acid
(S)-F-Willardiine
(S)-F-ウィラルジイン
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