Chem
J-GLOBAL ID：200907073580916691   Nikkaji number：J1.615.013D

N2-[5-(Dimethylamino)-1-naphthylsulfonyl]-L-asparagine 4-O-[4-O-(β-D-mannopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl ester

N2-[5-(ジメチルアミノ)-1-ナフチルスルホニル]-L-アスパラギン4-O-[4-O-(β-D-マンノピラノシル)-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル
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： C38H55N5O20S
Molecular formula furigana： C38-H55-N5-O20-S
Molecular weight： 933.930
InChI： InChI=1S/C38H55N5O20S/c1-15(47)40-26-29(51)34(62-38-32(54)31(53)28(50)21(12-44)58-38)23(14-46)59-36(26)61-33-22(13-45)60-37(27(30(33)52)41-16(2)48)63-35(55)19(11-25(39)49)42-64(56,57)24-10-6-7-17-18(24)8-5-9-20(17)43(3)4/h5-10,19,21-23,26-34,36-38,42,44-46,50-54H,11-14H2,1-4H3,(H2,39,49)(H,40,47)(H,41,48)/t19-,21+,22+,23+,26+,27+,28+,29+,30+,31-,32-,33+,34+,36-,37-,38-/m0/s1
InChI key： CMLREBZYMTWWQC-JMZSSQJBSA-N
SMILES： CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(=O)C)[C@H](O)[C@H]1NC(=O)C
Systematic name  (3)：
  • N2-[5-(ジメチルアミノ)-1-ナフチルスルホニル]-L-アスパラギン4-O-[4-O-(β-D-マンノピラノシル)-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル
  • (2S,3R,4R,5S,6R)-3-アセトアミド-5-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4-ヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (2S)-3-カルバモイル-2-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]プロパノアート
  • (2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl (2S)-3-carbamoyl-2-[5-(dimethylamino)naphthalene-1-sulfonamido]propanoate
Other name (1)：
  • N2-[5-(Dimethylamino)-1-naphthylsulfonyl]-L-asparagine 4-O-[4-O-(β-D-mannopyranosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl ester
Thsaurus map：
Thesaurus Map

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