Chem
J-GLOBAL ID：200907037890969969   Nikkaji number：J1.257.598J

ABT-773

ABT-773
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： C42H59N3O10
Molecular formula furigana： C42-H59-N3-O10
Molecular weight： 765.945
InChI： InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/t23-,24-,25+,26+,27-,31+,32?,35-,36-,37-,39+,41-,42-/m1/s1
InChI key： PENDGIOBPJLVBT-NETDAVRQSA-N
SMILES： CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C)OCC=Cc1cnc2ccccc2c1
Systematic name  (5)：
  • 5-O-[3,4,6-トリデオキシ-3-(ジメチルアミノ)-β-D-xylo-ヘキソピラノシル]-6-O-[3-(キノリン-3-イル)-2-プロペニル]-3,11,12-トリデオキシ-3,23-ジオキソ-12,11-(エポキシメタノイミノ)エリスロノリドA
  • 11,12-(イミノカルボニルオキシ)-11,12-ジデオキシ-3-オキソ-3-デス(2,6-ジデオキシ-3-C-メチル-3-O-メチル-α-L-ribo-ヘキソピラノシルオキシ)-6-O-[3-(3-キノリル)アリル]エリスロマイシン
  • 3,11,12-トリデオキシ-3,23-ジオキソ-6-O-[3-(キノリン-3-イル)-2-プロペニル]-5-O-[3-(ジメチルアミノ)-3,4,6-トリデオキシ-β-D-xylo-ヘキソピラノシル]-12,11-(エポキシメタノイミノ)エリスロノリドA
  • (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-エチル-3a,7,9,11,13,15-ヘキサメチル-11-{[3-(キノリン-3-イル)プロパ-2-エン-1-イル]オキシ}-テトラデカヒドロ-1H-オキサシクロテトラデカ[4,3-d][1,3]オキサゾール-2,6,8,14-テトラオン
  • (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-3a,7,9,11,13,15-hexamethyl-11-{[3-(quinolin-3-yl)prop-2-en-1-yl]oxy}-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone
Other name (8)：
  • 5-O-[3,4,6-Trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]-6-O-[3-(quinoline-3-yl)-2-propenyl]-3,11,12-trideoxy-3,23-dioxo-12,11-(epoxymethanoimino)erythronolide A
  • ABT-773
  • A-195773
  • 11,12-(Iminocarbonyloxy)-11,12-dideoxy-3-oxo-3-des(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyloxy)-6-O-[3-(3-quinolyl)allyl]erythromycin
  • 3,11,12-Trideoxy-3,23-dioxo-6-O-[3-(quinoline-3-yl)-2-propenyl]-5-O-[3-(dimethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]-12,11-(epoxymethanoimino)erythronolide A
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KEGG COMPOUND： C12020
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