Chem
J-GLOBAL ID:200907008821077592   Nikkaji number:J2.664.285J

N-Benzyl-N2-(4-nitrophenylsulfonyl)-O-[2-(acetylamino)-3-O,4-O,6-O-tribenzyl-2-deoxy-β-D-galactopyranosyl]-L-serinamide

N-ベンジル-N2-(4-ニトロフェニルスルホニル)-O-[2-(アセチルアミノ)-3-O,4-O,6-O-トリベンジル-2-デオキシ-β-D-ガラクトピラノシル]-L-セリンアミド
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: C45H48N3[N+]O10[O-]S
Molecular formula furigana: C45-H48-N4-O11-S
Molecular weight: 852.960
InChI: InChI=1S/C45H48N4O11S/c1-32(50)47-41-43(58-29-36-20-12-5-13-21-36)42(57-28-35-18-10-4-11-19-35)40(31-56-27-34-16-8-3-9-17-34)60-45(41)59-30-39(44(51)46-26-33-14-6-2-7-15-33)48-61(54,55)38-24-22-37(23-25-38)49(52)53/h2-25,39-43,45,48H,26-31H2,1H3,(H,46,51)(H,47,50)/t39-,40+,41+,42-,43+,45+/m0/s1
InChI key: ZOPFBNRVFYSZIV-KNEQNCEGSA-N
SMILES: CC(=O)N[C@H]1[C@H](OC[C@H](NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)NCc2ccccc2)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
Systematic name  (3):
  • N-ベンジル-N2-(4-ニトロフェニルスルホニル)-O-[2-(アセチルアミノ)-3-O,4-O,6-O-トリベンジル-2-デオキシ-β-D-ガラクトピラノシル]-L-セリンアミド
  • (2S)-N-ベンジル-3-{[(2R,3R,4R,5R,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-3-アセトアミドオキサン-2-イル]オキシ}-2-(4-ニトロベンゼンスルホンアミド)プロパンアミド
  • (2S)-N-benzyl-3-{[(2R,3R,4R,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-3-acetamidooxan-2-yl]oxy}-2-(4-nitrobenzenesulfonamido)propanamide
Other name (1):
  • N-Benzyl-N2-(4-nitrophenylsulfonyl)-O-[2-(acetylamino)-3-O,4-O,6-O-tribenzyl-2-deoxy-β-D-galactopyranosyl]-L-serinamide
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