Chem
J-GLOBAL ID:200907026779602426   Nikkaji number:J2.157.650F

N-(Benzyloxycarbonyl)-N′,O,O′-triacetyl-3,3′-bi(L-tyrosine)α-tert-butyl α′-methyl ester

N-(ベンジルオキシカルボニル)-N′,O,O′-トリアセチル-3,3′-ビ(L-チロシン)α-tert-ブチルα′-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: C37H42N2O11
Molecular formula furigana: C37-H42-N2-O11
Molecular weight: 690.746
InChI: InChI=1S/C37H42N2O11/c1-22(40)38-30(34(43)46-7)19-26-13-15-32(48-23(2)41)28(17-26)29-18-27(14-16-33(29)49-24(3)42)20-31(35(44)50-37(4,5)6)39-36(45)47-21-25-11-9-8-10-12-25/h8-18,30-31H,19-21H2,1-7H3,(H,38,40)(H,39,45)/t30-,31-/m0/s1
InChI key: IFXOVTLMYZQQIP-CONSDPRKSA-N
SMILES: COC(=O)[C@H](Cc1ccc(OC(=O)C)c(c1)c1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)ccc1OC(=O)C)NC(=O)C
Systematic name  (3):
  • N-(ベンジルオキシカルボニル)-N′,O,O′-トリアセチル-3,3′-ビ(L-チロシン)α-tert-ブチルα′-メチル
  • メチル (2S)-3-[2',6-ビス(アセチルオキシ)-5'-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-3-(tert-ブトキシ)-3-オキソプロピル]-[1,1'-ビフェニル]-3-イル]-2-アセトアミドプロパノアート
  • methyl (2S)-3-[2',6-bis(acetyloxy)-5'-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)-3-oxopropyl]-[1,1'-biphenyl]-3-yl]-2-acetamidopropanoate
Other name (1):
  • N-(Benzyloxycarbonyl)-N′,O,O′-triacetyl-3,3′-bi(L-tyrosine)α-tert-butyl α′-methyl ester
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