Chem
J-GLOBAL ID:200907049985214467   Nikkaji number:J1.930.387J

S-(3-O,4-O,6-O-Triacetyl-2-azido-2-deoxy-β-D-glucopyranosyl)-Boc-L-Hcy-L-Ala-NH2

S-(3-O,4-O,6-O-トリアセチル-2-アジド-2-デオキシ-β-D-グルコピラノシル)-Boc-L-Hcy-L-Ala-NH2
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: C24H38N4[N-][N+]O11S
Molecular formula furigana: C24-H38-N6-O11-S
Molecular weight: 618.660
InChI: InChI=1S/C24H38N6O11S/c1-11(20(25)34)27-21(35)15(28-23(36)41-24(5,6)7)8-9-42-22-17(29-30-26)19(39-14(4)33)18(38-13(3)32)16(40-22)10-37-12(2)31/h11,15-19,22H,8-10H2,1-7H3,(H2,25,34)(H,27,35)(H,28,36)/t11-,15-,16+,17+,18+,19+,22-/m0/s1
InChI key: UWDOWDPDRFSAEF-OPBLAEGQSA-N
SMILES: C[C@H](NC(=O)[C@H](CCS[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1N=[N+]=[N-])NC(=O)OC(C)(C)C)C(=O)N
Systematic name  (3):
  • S-(3-O,4-O,6-O-トリアセチル-2-アジド-2-デオキシ-β-D-グルコピラノシル)-Boc-L-Hcy-L-Ala-NH2
  • [(2R,3S,4R,5R,6S)-3,4-ビス(アセチルオキシ)-5-アジド-6-{[(3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-3-{[(1S)-1-カルバモイルエチル]カルバモイル}プロピル]スルファニル}オキサン-2-イル]メチル アセタート
  • [(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-5-azido-6-{[(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-{[(1S)-1-carbamoylethyl]carbamoyl}propyl]sulfanyl}oxan-2-yl]methyl acetate
Other name (1):
  • S-(3-O,4-O,6-O-Triacetyl-2-azido-2-deoxy-β-D-glucopyranosyl)-Boc-L-Hcy-L-Ala-NH2
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