Chem
J-GLOBAL ID:200907000522009652
Nikkaji number:J78.084G
U-12898
ブルエンシン
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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:
C21 H39 N5 O14
Molecular formula furigana:
C21-H39-N5-O14
Molecular weight:
585.564
InChI:
InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,21+/m0/s1
InChI key:
RQLDKUSQKQMFCN-AEXVNIBOSA-N
SMILES:
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC(=O)N)[C@@H](O)[C@@H]2NC(=N)N)O[C@@H](C)[C@]1(O)CO
Systematic name (4):
2-O-[2-O-[2-(メチルアミノ)-2-デオキシ-α-L-グルコピラノシル]-3-C-ヒドロキシメチル-5-デオキシ-α-L-リキソフラノシル]-1-(アミノイミノメチルアミノ)-5-O-カルバモイル-1-デオキシ-D-scyllo-イノシトール
2-O-[5-デオキシ-3-C-(ヒドロキシメチル)-2-O-[2-デオキシ-2-(メチルアミノ)-α-L-グルコピラノシル]-α-L-リキソフラノシル]-1-(アミジノアミノ)-1-デオキシ-5-O-カルバモイル-D-scyllo-イノシトール
(1R,2S,3S,4R,5R,6R)-3-カルバムイミドアミド-4-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-(メチルアミノ)オキサン-2-イル]オキシ}-4-ヒドロキシ-4-(ヒドロキシメチル)-5-メチルオキソラン-2-イル]オキシ}-2,5,6-トリヒドロキシシクロヘキシル カルバマート
(1R,2S,3S,4R,5R,6R)-3-carbamimidamido-4-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-2,5,6-trihydroxycyclohexyl carbamate
Other name (8):
U-12898
Bluensin
Bluensomycin
ブルエンシン
ブルエンソマイシン
U-12898D
2-O-[5-Deoxy-3-C-(hydroxymethyl)-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-α-L-lyxofuranosyl]-1-(amidinoamino)-1-deoxy-5-O-carbamoyl-D-scyllo-inositol
2-O-[2-O-[2-(Methylamino)-2-deoxy-α-L-glucopyranosyl]-3-C-hydroxymethyl-5-deoxy-α-L-lyxofuranosyl]-1-(aminoiminomethylamino)-5-O-carbamoyl-1-deoxy-D-scyllo-inositol
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CAS registry number:
11011-72-6
Regulation number (1):
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