Chem
J-GLOBAL ID:200907049740235272
Nikkaji number:J438.395H
5-Bromowillardiine
5-ブロモウィラルジイン
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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 H8 BrN3 O4
Molecular formula furigana:
C7-H8-BR-N3-O4
Molecular weight:
278.062
InChI:
InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChI key:
AEKIJKSVXKWGRJ-BYPYZUCNSA-N
SMILES:
N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O
Systematic name (4):
(S)-3-[(1,2,3,4-テトラヒドロ-2,4-ジオキソ-5-ブロモピリミジン)-1-イル]-2-アミノプロパン酸
(2S)-2-アミノ-3-[(5-ブロモ-2,4-ジオキソ-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-アミノ-3-(5-ブロモ-2,4-ジオキソ-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-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
Other name (6):
5-ブロモウィラルジイン
5-Bromowillardiine
(S)-3-[(1,2,3,4-Tetrahydro-2,4-dioxo-5-bromopyrimidin)-1-yl]-2-aminopropanoic acid
(2S)-2-Amino-3-[(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidine)-1-yl]propanoic acid
5-ブロモ-S-ウィラルジイン
5-Bromo-S-willardiine
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CAS registry number:
19722-78-2
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