Chem
J-GLOBAL ID：200907068616969653   Nikkaji number：J1.770.762K

(S)-3-[(Benzyloxycarbonyl)amino]-5-(2-O,3-O,4-O,6-O-tetrabenzyl-α-D-mannopyranosyl)valeric acid methyl ester

(S)-3-[(ベンジルオキシカルボニル)アミノ]-5-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)吉草酸メチル
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： C48H53NO9
Molecular formula furigana： C48-H53-N-O9
Molecular weight： 787.950
InChI： InChI=1S/C48H53NO9/c1-52-44(50)29-41(49-48(51)57-34-40-25-15-6-16-26-40)27-28-42-45(54-31-37-19-9-3-10-20-37)47(56-33-39-23-13-5-14-24-39)46(55-32-38-21-11-4-12-22-38)43(58-42)35-53-30-36-17-7-2-8-18-36/h2-26,41-43,45-47H,27-35H2,1H3,(H,49,51)/t41-,42+,43+,45+,46+,47+/m0/s1
InChI key： VLCZCXVVNLTALA-NWVRDGDTSA-N
SMILES： COC(=O)C[C@H](CC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)NC(=O)OCc1ccccc1
Systematic name  (3)：
  • (S)-3-[(ベンジルオキシカルボニル)アミノ]-5-(2-O,3-O,4-O,6-O-テトラベンジル-α-D-マンノピラノシル)吉草酸メチル
  • メチル (3S)-3-{[(ベンジルオキシ)カルボニル]アミノ}-5-[(2R,3R,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]ペンタノアート
  • methyl (3S)-3-{[(benzyloxy)carbonyl]amino}-5-[(2R,3R,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]pentanoate
Other name (1)：
  • (S)-3-[(Benzyloxycarbonyl)amino]-5-(2-O,3-O,4-O,6-O-tetrabenzyl-α-D-mannopyranosyl)valeric acid methyl ester
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