Chem
J-GLOBAL ID:200907001777447293
Nikkaji number:J1.461.740J
3-O-[3-O-[(S)-1-(Sodiooxycarbonyl)-2-cyclohexylethyl]-β-D-galactopyranosyl]-4-O-(6-deoxy-α-L-galactopyranosyl)-6-[[[(4-nitrobenzyl)oxy]carbonyl]amino]-1,5-anhydro-2,6-dideoxy-D-arabino-hexitol
3-O-[3-O-[(S)-1-(ソジオオキシカルボニル)-2-シクロヘキシルエチル]-β-D-ガラクトピラノシル]-4-O-(6-デオキシ-α-L-ガラクトピラノシル)-6-[[[(4-ニトロベンジル)オキシ]カルボニル]アミノ]-1,5-アンヒドロ-2,6-ジデオキシ-D-arabino-ヘキシトール
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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:
C35 H51 N[N+]NaO17 [O-]
Molecular formula furigana:
C35-H51-N2-NA-O18
Molecular weight:
810.779
InChI:
InChI=1S/C35H52N2O18.Na/c1-17-25(39)27(41)28(42)33(51-17)55-30-21(11-12-49-23(30)14-36-35(46)50-16-19-7-9-20(10-8-19)37(47)48)53-34-29(43)31(26(40)24(15-38)54-34)52-22(32(44)45)13-18-5-3-2-4-6-18;/h7-10,17-18,21-31,33-34,38-43H,2-6,11-16H2,1H3,(H,36,46)(H,44,45);/q;+1/p-1/t17-,21+,22-,23+,24+,25+,26-,27+,28-,29+,30-,31-,33-,34+;/m0./s1
InChI key:
SRERBOCVDCMUKZ-ADCRZIKGSA-M
SMILES:
C[C@@H]1O[C@@H](O[C@H]2[C@@H](CCO[C@@H]2CNC(=O)OCc2ccc(cc2)[N+](=O)[O-])O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O[Na])[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name (3):
3-O-[3-O-[(S)-1-(ソジオオキシカルボニル)-2-シクロヘキシルエチル]-β-D-ガラクトピラノシル]-4-O-(6-デオキシ-α-L-ガラクトピラノシル)-6-[[[(4-ニトロベンジル)オキシ]カルボニル]アミノ]-1,5-アンヒドロ-2,6-ジデオキシ-D-arabino-ヘキシトール
ナトリウム (2S)-3-シクロヘキシル-2-{[(2R,3S,4S,5R,6R)-3,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{[(2R,3S,4R)-2-[({[(4-ニトロフェニル)メトキシ]カルボニル}アミノ)メチル]-3-{[(2S,3S,4R,5S,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-4-イル]オキシ}オキサン-4-イル]オキシ}プロパノアート
sodium (2S)-3-cyclohexyl-2-{[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R)-2-[({[(4-nitrophenyl)methoxy]carbonyl}amino)methyl]-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-4-yl]oxy}oxan-4-yl]oxy}propanoate
Other name (1):
3-O-[3-O-[(S)-1-(Sodiooxycarbonyl)-2-cyclohexylethyl]-β-D-galactopyranosyl]-4-O-(6-deoxy-α-L-galactopyranosyl)-6-[[[(4-nitrobenzyl)oxy]carbonyl]amino]-1,5-anhydro-2,6-dideoxy-D-arabino-hexitol
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