Chem
J-GLOBAL ID:200907012145851783   Nikkaji number:J247.927C

Istamycin B-3

イスタマイシンB3
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: C18H36N6O5
Molecular formula furigana: C18-H36-N6-O5
Molecular weight: 416.523
InChI: InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1
InChI key: FBYTVIISAJWXNX-WLWVOYFZSA-N
SMILES: CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@H]([C@H]2O)N(C)C(=O)CNC=N)O1
Systematic name  (3):
  • 2-アミノ-1-O-[2-アミノ-2,3,4,6-テトラデオキシ-6-(メチルアミノ)-α-D-erythro-ヘキソピラノシル]-2,3,5-トリデオキシ-5-[[[(イミノメチル)アミノ]アセチル]メチルアミノ]-4-O-メチル-D-allo-イノシトール
  • N-[(1S,2R,3R,4R,6S)-4-アミノ-3-{[(2R,3R,6S)-3-アミノ-6-[(メチルアミノ)メチル]オキサン-2-イル]オキシ}-2-ヒドロキシ-6-メトキシシクロヘキシル]-2-メタンイミドアミド-N-メチルアセトアミド
  • N-[(1S,2R,3R,4R,6S)-4-amino-3-{[(2R,3R,6S)-3-amino-6-[(methylamino)methyl]oxan-2-yl]oxy}-2-hydroxy-6-methoxycyclohexyl]-2-methanimidamido-N-methylacetamide
Other name (5):
  • Istamycin B-3
  • 2′′-N-Formimidoylistamycin B
  • 2′′-N-ホルムイミドイルイスタマイシンB
  • イスタマイシンB3
  • 2-Amino-1-O-[2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-α-D-erythro-hexopyranosyl]-2,3,5-trideoxy-5-[[[(iminomethyl)amino]acetyl]methylamino]-4-O-methyl-D-allo-inositol
CAS registry number: 77312-55-1
KEGG COMPOUND: C17993
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