Chem
J-GLOBAL ID:200907002744295494
Nikkaji number:J17.983C
UK-18892
ブチカシン
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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:
C22 H45 N5 O12
Molecular formula furigana:
C22-H45-N5-O12
Molecular weight:
571.625
InChI:
InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1
InChI key:
OCFOTEIMZBKQFS-DGMGPCKZSA-N
SMILES:
NCC[C@H](O)CN[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
Systematic name (3):
6-O-[3-アミノ-3-デオキシ-α-D-グルコピラノシル]-4-O-[6-アミノ-6-デオキシ-α-D-グルコピラノシル]-N1 -[(S)-4-アミノ-2-ヒドロキシブチル]-2-デオキシ-D-ストレプタミン
(2R,3R,4S,5S,6R)-2-{[(1R,2S,3S,4R,6S)-6-アミノ-4-{[(2S)-4-アミノ-2-ヒドロキシブチル]アミノ}-3-{[(2S,3R,4S,5S,6R)-4-アミノ-3,5-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}-2-ヒドロキシシクロヘキシル]オキシ}-6-(アミノメチル)オキサン-3,4,5-トリオール
(2R,3R,4S,5S,6R)-2-{[(1R,2S,3S,4R,6S)-6-amino-4-{[(2S)-4-amino-2-hydroxybutyl]amino}-3-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(aminomethyl)oxane-3,4,5-triol
Other name (6):
CAS registry number:
59733-86-7
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