Chem
J-GLOBAL ID:201507010983016964
Nikkaji number:J3.437.714F
1-(β-D-Glucopyranosyl)-3-(4-methylbenzoyl)urea
1-(β-D-グルコピラノシル)-3-(4-メチルベンゾイル)尿素
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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:
C15 H20 N2 O7
Molecular formula furigana:
C15-H20-N2-O7
Molecular weight:
340.332
InChI:
InChI=1S/C15H20N2O7/c1-7-2-4-8(5-3-7)13(22)16-15(23)17-14-12(21)11(20)10(19)9(6-18)24-14/h2-5,9-12,14,18-21H,6H2,1H3,(H2,16,17,22,23)/t9-,10-,11+,12-,14-/m1/s1
InChI key:
DUVVGYBLYHSFMV-YGEZULPYSA-N
SMILES:
Cc1ccc(cc1)C(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (3):
1-(β-D-グルコピラノシル)-3-(4-メチルベンゾイル)尿素
3-(4-メチルベンゾイル)-1-[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]尿素
3-(4-methylbenzoyl)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
Other name (1):
1-(β-D-Glucopyranosyl)-3-(4-methylbenzoyl)urea
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