Chem
J-GLOBAL ID:200907080951847554
Nikkaji number:J1.715.807D
5-[[2-[[4-O-[4-O-[4-O-[4-O-[4-O-[4-[3-[4-[4-(Dimethylamino)phenylazo]phenyl]thioureido]-4-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosylthio]acetylamino]ethyl]amino]naphthalene-1-sulfonic acid sodium salt
5-[[2-[[4-O-[4-O-[4-O-[4-O-[4-O-[4-[3-[4-[4-(ジメチルアミノ)フェニルアゾ]フェニル]チオウレイド]-4-デオキシ-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシルチオ]アセチルアミノ]エチル]アミノ]ナフタレン-1-スルホン酸ナトリウム
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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:
C65 H90 N7 NaO33 S3
Molecular formula furigana:
C65-H90-N7-NA-O33-S3
Molecular weight:
1616.620
InChI:
InChI=1S/C65H91N7O33S3.Na/c1-72(2)29-15-13-28(14-16-29)71-70-27-11-9-26(10-12-27)68-65(106)69-41-33(19-73)95-59(48(86)42(41)80)101-54-34(20-74)96-60(49(87)43(54)81)102-55-35(21-75)97-61(50(88)44(55)82)103-56-36(22-76)98-62(51(89)45(56)83)104-57-37(23-77)99-63(52(90)46(57)84)105-58-38(24-78)100-64(53(91)47(58)85)107-25-40(79)67-18-17-66-32-7-3-6-31-30(32)5-4-8-39(31)108(92,93)94;/h3-16,33-38,41-64,66,73-78,80-91H,17-25H2,1-2H3,(H,67,79)(H2,68,69,106)(H,92,93,94);/q;+1/p-1/t33-,34-,35-,36-,37-,38-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+;/m1./s1
InChI key:
DGLLDURJFIVUAS-VHUKXJAPSA-M
SMILES:
CN(C)c1ccc(cc1)N=Nc1ccc(NC(=S)N[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]7CO)SCC(=O)NCCNc7cccc8c(cccc78)S(=O)(=O)O[Na])O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)cc1
Systematic name (3):
5-[[2-[[4-O-[4-O-[4-O-[4-O-[4-O-[4-[3-[4-[4-(ジメチルアミノ)フェニルアゾ]フェニル]チオウレイド]-4-デオキシ-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシル]-β-D-グルコピラノシルチオ]アセチルアミノ]エチル]アミノ]ナフタレン-1-スルホン酸ナトリウム
ナトリウム 5-{[2-(2-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6S)-5-{[(4-{2-[4-(ジメチルアミノ)フェニル]ジアゼン-1-イル}フェニル)カルバモチオイル]アミノ}-3,4-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}-3,4-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}-3,4-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}-3,4-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}-3,4-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}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]スルファニル}アセトアミド)エチル]アミノ}ナフタレン-1-スルホナート
sodium 5-{[2-(2-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5S,6S)-5-{[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)carbamothioyl]amino}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}acetamido)ethyl]amino}naphthalene-1-sulfonate
Other name (1):
5-[[2-[[4-O-[4-O-[4-O-[4-O-[4-O-[4-[3-[4-[4-(Dimethylamino)phenylazo]phenyl]thioureido]-4-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosylthio]acetylamino]ethyl]amino]naphthalene-1-sulfonic acid sodium salt
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