Chem
J-GLOBAL ID:200907065450766725
Nikkaji number:J806.207B
4-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-1-[[(S)-2-amino-3-(1H-imidazol-4-yl)propionyl]amino]-2-(acetylamino)-1,2-dideoxy-β-D-glucopyranose
4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-1-[[(S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロピオニル]アミノ]-2-(アセチルアミノ)-1,2-ジデオキシ-β-D-グルコピラノース
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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:
C22 H36 N6 O11
Molecular formula furigana:
C22-H36-N6-O11
Molecular weight:
560.561
InChI:
InChI=1S/C22H36N6O11/c1-8(31)26-14-18(35)19(39-22-15(27-9(2)32)17(34)16(33)12(5-29)38-22)13(6-30)37-21(14)28-20(36)11(23)3-10-4-24-7-25-10/h4,7,11-19,21-22,29-30,33-35H,3,5-6,23H2,1-2H3,(H,24,25)(H,26,31)(H,27,32)(H,28,36)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,21+,22-/m0/s1
InChI key:
FSWSMPKGSIINIF-ZFSVLAGISA-N
SMILES:
CC(=O)N[C@H]1[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)[C@@H]1O
Systematic name (3):
4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-1-[[(S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロピオニル]アミノ]-2-(アセチルアミノ)-1,2-ジデオキシ-β-D-グルコピラノース
(2S)-2-アミノ-N-[(2R,3R,4R,5S,6R)-3-アセトアミド-5-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]-3-(1H-イミダゾール-4-イル)プロパンアミド
(2S)-2-amino-N-[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(1H-imidazol-4-yl)propanamide
Other name (1):
4-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-1-[[(S)-2-amino-3-(1H-imidazol-4-yl)propionyl]amino]-2-(acetylamino)-1,2-dideoxy-β-D-glucopyranose
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