Chem
J-GLOBAL ID：200907045934696968   Nikkaji number：J1.901.345F

[2-[Bis[2-[[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]carbamoyl]ethyl]amino]ethyl][2-[bis[2-[[2-[bis[2-[[2-(acetylamino)ethyl]carbamoyl]ethyl]amino]ethyl]carbamoyl]ethyl]amino]ethyl] persulfide

[2-[ビス[2-[[2-[[5-(ジメチルアミノ)-1-ナフチル]スルホニルアミノ]エチル]カルバモイル]エチル]アミノ]エチル][2-[ビス[2-[[2-[ビス[2-[[2-(アセチルアミノ)エチル]カルバモイル]エチル]アミノ]エチル]カルバモイル]エチル]アミノ]エチル]ペルスルフィド
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： C76H122N20O16S4
Molecular formula furigana： C76-H122-N20-O16-S4
Molecular weight： 1700.180
InChI： InChI=1S/C76H122N20O16S4/c1-57(97)77-29-33-81-69(101)21-43-93(44-22-70(102)82-34-30-78-58(2)98)51-41-87-75(107)27-49-96(50-28-76(108)88-42-52-94(45-23-71(103)83-35-31-79-59(3)99)46-24-72(104)84-36-32-80-60(4)100)54-56-114-113-55-53-95(47-25-73(105)85-37-39-89-115(109,110)67-19-11-13-61-63(67)15-9-17-65(61)91(5)6)48-26-74(106)86-38-40-90-116(111,112)68-20-12-14-62-64(68)16-10-18-66(62)92(7)8/h9-20,89-90H,21-56H2,1-8H3,(H,77,97)(H,78,98)(H,79,99)(H,80,100)(H,81,101)(H,82,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,108)
InChI key： SQJIXXQDWMCHHN-UHFFFAOYSA-N
SMILES： CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)CCN(CCSSCCN(CCC(=O)NCCN(CCC(=O)NCCNC(=O)C)CCC(=O)NCCNC(=O)C)CCC(=O)NCCN(CCC(=O)NCCNC(=O)C)CCC(=O)NCCNC(=O)C)CCC(=O)NCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Systematic name  (3)：
  • [2-[ビス[2-[[2-[[5-(ジメチルアミノ)-1-ナフチル]スルホニルアミノ]エチル]カルバモイル]エチル]アミノ]エチル][2-[ビス[2-[[2-[ビス[2-[[2-(アセチルアミノ)エチル]カルバモイル]エチル]アミノ]エチル]カルバモイル]エチル]アミノ]エチル]ペルスルフィド
  • 3-({2-[(2-{ビス[2-({2-[ビス({2-[(2-アセトアミドエチル)カルバモイル]エチル})アミノ]エチル}カルバモイル)エチル]アミノ}エチル)ジスルファニル]エチル}[2-({2-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]エチル}カルバモイル)エチル]アミノ)-N-{2-[5-(ジメチルアミノ)ナフタレン-1-スルホンアミド]エチル}プロパンアミド
  • 3-({2-[(2-{bis[2-({2-[bis({2-[(2-acetamidoethyl)carbamoyl]ethyl})amino]ethyl}carbamoyl)ethyl]amino}ethyl)disulfanyl]ethyl}[2-({2-[5-(dimethylamino)naphthalene-1-sulfonamido]ethyl}carbamoyl)ethyl]amino)-N-{2-[5-(dimethylamino)naphthalene-1-sulfonamido]ethyl}propanamide
Other name (1)：
  • [2-[Bis[2-[[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]carbamoyl]ethyl]amino]ethyl][2-[bis[2-[[2-[bis[2-[[2-(acetylamino)ethyl]carbamoyl]ethyl]amino]ethyl]carbamoyl]ethyl]amino]ethyl] persulfide
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