Chem
J-GLOBAL ID:200907040083605709   Nikkaji number:J1.627.772J

Ac-Gly-S-[2-(Acetylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-β-D-glucopyranosyl]-L-Cys-Gly-OBut

Ac-Gly-S-[2-(アセチルアミノ)-3-O,4-O,6-O-トリアセチル-2-デオキシ-β-D-グルコピラノシル]-L-Cys-Gly-OBut
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: C27H42N4O13S
Molecular formula furigana: C27-H42-N4-O13-S
Molecular weight: 662.710
InChI: InChI=1S/C27H42N4O13S/c1-13(32)28-9-20(37)31-18(25(39)29-10-21(38)44-27(6,7)8)12-45-26-22(30-14(2)33)24(42-17(5)36)23(41-16(4)35)19(43-26)11-40-15(3)34/h18-19,22-24,26H,9-12H2,1-8H3,(H,28,32)(H,29,39)(H,30,33)(H,31,37)/t18-,19+,22+,23+,24+,26-/m0/s1
InChI key: NMVRNCVXZZNJDX-GSOUMUSQSA-N
SMILES: CC(=O)NCC(=O)N[C@@H](CS[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)C)C(=O)NCC(=O)OC(C)(C)C
Systematic name  (3):
  • Ac-Gly-S-[2-(アセチルアミノ)-3-O,4-O,6-O-トリアセチル-2-デオキシ-β-D-グルコピラノシル]-L-Cys-Gly-OBut
  • tert-ブチル 2-[(2R)-3-{[(2S,3R,4R,5S,6R)-4,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-アセトアミドオキサン-2-イル]スルファニル}-2-(2-アセトアミドアセトアミド)プロパンアミド]アセタート
  • tert-butyl 2-[(2R)-3-{[(2S,3R,4R,5S,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]sulfanyl}-2-(2-acetamidoacetamido)propanamido]acetate
Other name (1):
  • Ac-Gly-S-[2-(Acetylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-β-D-glucopyranosyl]-L-Cys-Gly-OBut
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