Chem
J-GLOBAL ID：200907065544947146
Nikkaji number：J2.763.697G
6,6′-[(2-Thioxo-1,3-dithiol-4,5-diyl)bisthio]bis[N-[(R)-α-methylbenzyl]hexanamide]
6,6′-[(2-チオキソ-1,3-ジチオール-4,5-ジイル)ビスチオ]ビス[N-[(R)-α-メチルベンジル]ヘキサンアミド]
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
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
Molecular formula： C31H40N2O2S5
Molecular formula furigana： C31-H40-N2-O2-S5
Molecular weight： 632.970
InChI：
InChI=1S/C31H40N2O2S5/c1-23(25-15-7-3-8-16-25)32-27(34)19-11-5-13-21-37-29-30(40-31(36)39-29)38-22-14-6-12-20-28(35)33-24(2)26-17-9-4-10-18-26/h3-4,7-10,15-18,23-24H,5-6,11-14,19-22H2,1-2H3,(H,32,34)(H,33,35)/t23-,24-/m1/s1
InChI key：
RXWVCTHPUNUWAN-DNQXCXABSA-N
SMILES：
C[C@@H](NC(=O)CCCCCSc1sc(=S)sc1SCCCCCC(=O)N[C@H](C)c1ccccc1)c1ccccc1
Systematic name (3)：
- 6,6′-[(2-チオキソ-1,3-ジチオール-4,5-ジイル)ビスチオ]ビス[N-[(R)-α-メチルベンジル]ヘキサンアミド]
- N-[(1R)-1-フェニルエチル]-6-({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]-2-スルファニリデン-2H-1,3-ジチオール-4-イル}スルファニル)ヘキサンアミド
- N-[(1R)-1-phenylethyl]-6-({5-[(5-{[(1R)-1-phenylethyl]carbamoyl}pentyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)hexanamide
- 6,6′-[(2-Thioxo-1,3-dithiol-4,5-diyl)bisthio]bis[N-[(R)-α-methylbenzyl]hexanamide]
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