Chem
J-GLOBAL ID：200907057041643090   Nikkaji number：J2.763.698E

6,6′,6′′,6′′′-[(Δ2,2′-Bi[1,3-dithiol]-4,4′,5,5′-tetrayl)tetrakisthio]tetrakis[N-[(R)-α-methylbenzyl]hexanamide]

6,6′,6′′,6′′′-[(Δ2,2′-ビ[1,3-ジチオール]-4,4′,5,5′-テトライル)テトラキスチオ]テトラキス[N-[(R)-α-メチルベンジル]ヘキサンアミド]
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： C62H80N4O4S8
Molecular formula furigana： C62-H80-N4-O4-S8
Molecular weight： 1201.830
InChI： InChI=1S/C62H80N4O4S8/c1-45(49-29-13-5-14-30-49)63-53(67)37-21-9-25-41-71-57-58(72-42-26-10-22-38-54(68)64-46(2)50-31-15-6-16-32-50)76-61(75-57)62-77-59(73-43-27-11-23-39-55(69)65-47(3)51-33-17-7-18-34-51)60(78-62)74-44-28-12-24-40-56(70)66-48(4)52-35-19-8-20-36-52/h5-8,13-20,29-36,45-48H,9-12,21-28,37-44H2,1-4H3,(H,63,67)(H,64,68)(H,65,69)(H,66,70)/t45-,46-,47-,48-/m1/s1
InChI key： VMGSDHJXZUXGSO-MABAWHDTSA-N
SMILES： C[C@@H](NC(=O)CCCCCSC1=C(SCCCCCC(=O)N[C@H](C)c2ccccc2)S/C(=C/2\SC(=C(SCCCCCC(=O)N[C@H](C)c3ccccc3)S2)SCCCCCC(=O)N[C@H](C)c2ccccc2)/S1)c1ccccc1
Systematic name  (3)：
  • 6,6′,6′′,6′′′-[(Δ2,2′-ビ[1,3-ジチオール]-4,4′,5,5′-テトライル)テトラキスチオ]テトラキス[N-[(R)-α-メチルベンジル]ヘキサンアミド]
  • 6-[(2-{4,5-ビス[(5-{[(1R)-1-フェニルエチル]カルバモイル}ペンチル)スルファニル]-2H-1,3-ジチオール-2-イリデン}-5-[(5-{[(1R)-1-フェニルエチル]カルバモイル}ペンチル)スルファニル]-2H-1,3-ジチオール-4-イル)スルファニル]-N-[(1R)-1-フェニルエチル]ヘキサンアミド
  • 6-[(2-{4,5-bis[(5-{[(1R)-1-phenylethyl]carbamoyl}pentyl)sulfanyl]-2H-1,3-dithiol-2-ylidene}-5-[(5-{[(1R)-1-phenylethyl]carbamoyl}pentyl)sulfanyl]-2H-1,3-dithiol-4-yl)sulfanyl]-N-[(1R)-1-phenylethyl]hexanamide
Other name (1)：
  • 6,6′,6′′,6′′′-[(Δ2,2′-Bi[1,3-dithiol]-4,4′,5,5′-tetrayl)tetrakisthio]tetrakis[N-[(R)-α-methylbenzyl]hexanamide]
Thsaurus map：
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