13,16.15,9.122,26]tetraconta-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-dodecaen-24-ylmethylidene}hydrazinecarbonyl)-2-[(triphenylmethyl)sulfanyl]ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamate" Detailed information of the J-GLOBAL is an information service managed by the Japan Science and Technology Agency (hereinafter referred to as "JST"). It provides free access to secondary information on researchers, articles, patents, etc., in science and technology, medicine and pharmacy. The search results guide you to high-quality primary information inside and outside JST.'>
Chem
J-GLOBAL ID：201907014120704433   Nikkaji number：J3.735.750B

tert-butyl N-{[({[(1R)-1-(N'-{17,31-dioxa-40-azapentacyclo[30.2.2.213,16.15,9.122,26]tetraconta-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-dodecaen-24-ylmethylidene}hydrazinecarbonyl)-2-[(triphenylmethyl)sulfanyl]ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamate

tert-ブチルN-{[({[(1R)-1-(N'-{17,31-ジオキサ-40-アザペンタシクロ[30.2.2.213,16.15,9.122,26]テトラコンタ-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-ドデカエン-24-イルメチリデン}ヒドラジンカルボニル)-2-[(トリフェニルメチル)スルファニル]エチル]カルバモイル}メチル)カルバモイル]メチル}カルバマート
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： C69H78N6O7S
Molecular formula furigana： C69-H78-N6-O7-S
Molecular weight： 1135.480
InChI： InChI=1S/C69H78N6O7S/c1-68(2,3)82-67(79)71-48-64(76)70-49-65(77)74-63(50-83-69(56-24-7-4-8-25-56,57-26-9-5-10-27-57)58-28-11-6-12-29-58)66(78)75-72-47-55-45-53-20-13-15-42-80-61-38-34-51(35-39-61)22-17-30-59-32-19-33-60(73-59)31-18-23-52-36-40-62(41-37-52)81-43-16-14-21-54(44-53)46-55/h4-12,19,24-29,32-41,44-47,63H,13-18,20-23,30-31,42-43,48-50H2,1-3H3,(H,70,76)(H,71,79)(H,74,77)(H,75,78)/t63-/m0/s1
InChI key： IFBVAZKABPAQRS-VGRRCQLWSA-N
SMILES： C(=O)([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)NN=Cc1cc2CCCCOc3ccc(CCCc4cccc(CCCc5ccc(OCCCCc(c1)c2)cc5)n4)cc3
Systematic name  (3)：
  • (R)-N′-[[2,16-ジオキサ-40-アザテトラシクロ[30.2.2.217,20.17,11.124,28]テトラコンタン-1(34),7,9,11(39),17,19,24(40),25,27,32,35,37-ドデカエン-9-イル]メチレン]-2-[[[[[(tert-ブチルオキシカルボニル)アミノ]アセチル]アミノ]アセチル]アミノ]-3-(トリチルチオ)プロパンヒドラジド
  • tert-ブチルN-{[({[(1R)-1-[N'-({17,31-ジオキサ-40-アザペンタシクロ[30.2.2.213,16.15,9.122,26]テトラコンタ-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-ドデカエン-24-イル}メチリデン)ヒドラジンカルボニル]-2-[(トリフェニルメチル)スルファニル]エチル]カルバモイル}メチル)カルバモイル]メチル}カルバマート
  • tert-butyl N-{[({[(1R)-1-[N'-({17,31-dioxa-40-azapentacyclo[30.2.2.213,16.15,9.122,26]tetraconta-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-dodecaen-24-yl}methylidene)hydrazinecarbonyl]-2-[(triphenylmethyl)sulfanyl]ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamate
Other name (2)：
  • tert-ブチルN-{[({[(1R)-1-(N'-{17,31-ジオキサ-40-アザペンタシクロ[30.2.2.213,16.15,9.122,26]テトラコンタ-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-ドデカエン-24-イルメチリデン}ヒドラジンカルボニル)-2-[(トリフェニルメチル)スルファニル]エチル]カルバモイル}メチル)カルバモイル]メチル}カルバマート
  • tert-butyl N-{[({[(1R)-1-(N'-{17,31-dioxa-40-azapentacyclo[30.2.2.213,16.15,9.122,26]tetraconta-1(34),5,7,9(40),13,15,22(37),23,25,32,35,38-dodecaen-24-ylmethylidene}hydrazinecarbonyl)-2-[(triphenylmethyl)sulfanyl]ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamate
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