Chem
J-GLOBAL ID:200907033528251345   Nikkaji number:J1.137.976A

4,4′-[(1,22-Dioxo-10,12-docosadiyne-1,22-diyl)bisoxy][3,3′-[(1,22-dioxo-10,12-docosadiyne-1,22-diyl)bisoxy]bis[(S)-N-[2-(dimethylamino)ethyl]butanamide]]

4,4′-[(1,22-ジオキソ-10,12-ドコサジイン-1,22-ジイル)ビスオキシ][3,3′-[(1,22-ジオキソ-10,12-ドコサジイン-1,22-ジイル)ビスオキシ]ビス[(S)-N-[2-(ジメチルアミノ)エチル]ブタンアミド]]
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: C60H96N4O10
Molecular formula furigana: C60-H96-N4-O10
Molecular weight: 1033.445
InChI: InChI=1S/C60H96N4O10/c1-63(2)47-45-61-55(65)49-53-51-71-57(67)41-37-33-29-25-21-17-13-9-5-6-10-14-18-22-26-30-34-38-42-58(68)72-52-54(50-56(66)62-46-48-64(3)4)74-60(70)44-40-36-32-28-24-20-16-12-8-7-11-15-19-23-27-31-35-39-43-59(69)73-53/h53-54H,13-52H2,1-4H3,(H,61,65)(H,62,66)/t53-,54?/m0/s1
InChI key: GZMVYZUTAFMYKP-AVRFZLNTSA-N
SMILES: CN(C)CCNC(=O)CC1COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)OC[C@H](CC(=O)NCCN(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCC(=O)O1
Systematic name  (3):
  • 4,4′-[(1,22-ジオキソ-10,12-ドコサジイン-1,22-ジイル)ビスオキシ][3,3′-[(1,22-ジオキソ-10,12-ドコサジイン-1,22-ジイル)ビスオキシ]ビス[(S)-N-[2-(ジメチルアミノ)エチル]ブタンアミド]]
  • N-[2-(ジメチルアミノ)エチル]-2-[(2S,29S)-29-({[2-(ジメチルアミノ)エチル]カルバモイル}メチル)-5,26,31,52-テトラオキソ-1,4,27,30-テトラオキサシクロドペンタコンタ-14,16,40,42-テトライン-2-イル]アセトアミド
  • N-[2-(dimethylamino)ethyl]-2-[(2S,29S)-29-({[2-(dimethylamino)ethyl]carbamoyl}methyl)-5,26,31,52-tetraoxo-1,4,27,30-tetraoxacyclodopentaconta-14,16,40,42-tetrayn-2-yl]acetamide
Other name (1):
  • 4,4′-[(1,22-Dioxo-10,12-docosadiyne-1,22-diyl)bisoxy][3,3′-[(1,22-dioxo-10,12-docosadiyne-1,22-diyl)bisoxy]bis[(S)-N-[2-(dimethylamino)ethyl]butanamide]]
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