Chem
J-GLOBAL ID:200907017261103125   Nikkaji number:J2.578.220H

4-[2-(Allyloxycarbonylamino)-3-O-(4-cyanophenylcarbamoyl)-6-azido-2,6-dideoxy-α-D-galactopyranosylthio]butanamide

4-[2-(アリルオキシカルボニルアミノ)-3-O-(4-シアノフェニルカルバモイル)-6-アジド-2,6-ジデオキシ-α-D-ガラクトピラノシルチオ]ブタンアミド
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: C22H27N5[N-][N+]O7S
Molecular formula furigana: C22-H27-N7-O7-S
Molecular weight: 533.560
InChI: InChI=1S/C22H27N7O7S/c1-2-9-34-21(32)28-17-19(36-22(33)27-14-7-5-13(11-23)6-8-14)18(31)15(12-26-29-25)35-20(17)37-10-3-4-16(24)30/h2,5-8,15,17-20,31H,1,3-4,9-10,12H2,(H2,24,30)(H,27,33)(H,28,32)/t15-,17-,18+,19-,20-/m1/s1
InChI key: ZTQBCOIICPMZMD-XIKSMUEASA-N
SMILES: NC(=O)CCCS[C@H]1O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](OC(=O)Nc2ccc(cc2)C#N)[C@H]1NC(=O)OCC=C
Systematic name  (3):
  • 4-[2-(アリルオキシカルボニルアミノ)-3-O-(4-シアノフェニルカルバモイル)-6-アジド-2,6-ジデオキシ-α-D-ガラクトピラノシルチオ]ブタンアミド
  • (2R,3S,4R,5R,6R)-2-(アジドメチル)-6-[(3-カルバモイルプロピル)スルファニル]-3-ヒドロキシ-5-{[(プロパ-2-エン-1-イルオキシ)カルボニル]アミノ}オキサン-4-イル N-(4-シアノフェニル)カルバマート
  • (2R,3S,4R,5R,6R)-2-(azidomethyl)-6-[(3-carbamoylpropyl)sulfanyl]-3-hydroxy-5-{[(prop-2-en-1-yloxy)carbonyl]amino}oxan-4-yl N-(4-cyanophenyl)carbamate
Other name (1):
  • 4-[2-(Allyloxycarbonylamino)-3-O-(4-cyanophenylcarbamoyl)-6-azido-2,6-dideoxy-α-D-galactopyranosylthio]butanamide
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