Chem
J-GLOBAL ID:200907017516434333   Nikkaji number:J2.521.618K

3-[6-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-glucopyranosylmethyl)-2-methyl-3,5-bis(tert-butoxycarbonyl)-4-pyridyl]-N-(tert-butoxycarbonyl)alanine methyl ester

3-[6-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-グルコピラノシルメチル)-2-メチル-3,5-ビス(tert-ブトキシカルボニル)-4-ピリジル]-N-(tert-ブトキシカルボニル)アラニンメチル
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: C60H74N2O13
Molecular formula furigana: C60-H74-N2-O13
Molecular weight: 1031.252
InChI: InChI=1S/C60H74N2O13/c1-39-49(55(64)73-58(2,3)4)44(32-46(54(63)67-11)62-57(66)75-60(8,9)10)50(56(65)74-59(5,6)7)45(61-39)33-47-51(69-35-41-26-18-13-19-27-41)53(71-37-43-30-22-15-23-31-43)52(70-36-42-28-20-14-21-29-42)48(72-47)38-68-34-40-24-16-12-17-25-40/h12-31,46-48,51-53H,32-38H2,1-11H3,(H,62,66)/t46-,47+,48+,51-,52+,53+/m0/s1
InChI key: BKTZLCRQLYDBJI-CSOXUHCISA-N
SMILES: COC(=O)[C@H](Cc1c(C(=O)OC(C)(C)C)c(C)nc(C[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Systematic name  (3):
  • 3-[6-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-グルコピラノシルメチル)-2-メチル-3,5-ビス(tert-ブトキシカルボニル)-4-ピリジル]-N-(tert-ブトキシカルボニル)アラニンメチル
  • 3,5-ジ-tert-ブチル 4-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-メトキシ-3-オキソプロピル]-2-メチル-6-{[(2R,3S,4R,5R,6R)-3,4,5-トリス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]オキサン-2-イル]メチル}ピリジン-3,5-ジカルボキシラート
  • 3,5-di-tert-butyl 4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxy-3-oxopropyl]-2-methyl-6-{[(2R,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]methyl}pyridine-3,5-dicarboxylate
Other name (1):
  • 3-[6-(2-O,3-O,4-O,6-O-Tetrabenzyl-α-D-glucopyranosylmethyl)-2-methyl-3,5-bis(tert-butoxycarbonyl)-4-pyridyl]-N-(tert-butoxycarbonyl)alanine methyl ester
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