Chem
J-GLOBAL ID：200907023306885502   Nikkaji number：J2.589.159G

(3R,4R)-N,N′-Bis(4-tert-butylbenzyl)-N,N′-bis[[(1S)-3-oxo-4α,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1α-yl]carbonyloxy]-1,6-diphenyl-1,5-hexadiyne-3,4-diamine

(3R,4R)-N,N′-ビス(4-tert-ブチルベンジル)-N,N′-ビス[[(1S)-3-オキソ-4α,7,7-トリメチル-2-オキサビシクロ[2.2.1]ヘプタン-1α-イル]カルボニルオキシ]-1,6-ジフェニル-1,5-ヘキサジイン-3,4-ジアミン
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： C60H68N2O8
Molecular formula furigana： C60-H68-N2-O8
Molecular weight： 945.210
InChI： InChI=1S/C60H68N2O8/c1-53(2,3)45-29-23-43(24-30-45)39-61(69-51(65)59-37-35-57(11,49(63)67-59)55(59,7)8)47(33-27-41-19-15-13-16-20-41)48(34-28-42-21-17-14-18-22-42)62(40-44-25-31-46(32-26-44)54(4,5)6)70-52(66)60-38-36-58(12,50(64)68-60)56(60,9)10/h13-26,29-32,47-48H,35-40H2,1-12H3/t47-,48-,57+,58+,59-,60-/m1/s1
InChI key： VVYGQMKYQYBLAM-BZCJFCFLSA-N
SMILES： CC(C)(C)c1ccc(CN(OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H](C#Cc2ccccc2)[C@@H](C#Cc2ccccc2)N(Cc2ccc(cc2)C(C)(C)C)OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1
Systematic name  (3)：
  • (3R,4R)-N,N′-ビス(4-tert-ブチルベンジル)-N,N′-ビス[[(1S)-3-オキソ-4α,7,7-トリメチル-2-オキサビシクロ[2.2.1]ヘプタン-1α-イル]カルボニルオキシ]-1,6-ジフェニル-1,5-ヘキサジイン-3,4-ジアミン
  • [(4-tert-ブチルフェニル)メチル][(3R,4R)-4-{[(4-tert-ブチルフェニル)メチル][(1S,4R)-4,7,7-トリメチル-3-オキソ-2-オキサビシクロ[2.2.1]ヘプタン-1-カルボニルオキシ]アミノ}-1,6-ジフェニルヘキサ-1,5-ジイン-3-イル]アミノ (1S,4R)-4,7,7-トリメチル-3-オキソ-2-オキサビシクロ[2.2.1]ヘプタン-1-カルボキシラート
  • [(4-tert-butylphenyl)methyl][(3R,4R)-4-{[(4-tert-butylphenyl)methyl][(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyloxy]amino}-1,6-diphenylhexa-1,5-diyn-3-yl]amino (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Other name (1)：
  • (3R,4R)-N,N′-Bis(4-tert-butylbenzyl)-N,N′-bis[[(1S)-3-oxo-4α,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1α-yl]carbonyloxy]-1,6-diphenyl-1,5-hexadiyne-3,4-diamine
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