Chem
J-GLOBAL ID：201607014042454687   Nikkaji number：J3.506.401J

N2-[1,4-Dioxo-4-[5-[3-(9-oxo-9,10-dihydroacridine-2-yl)-L-alanyl]-2,3,4,5,6,9-hexahydro-7,8-didehydro-1H-1,5-diazonine-1-yl]butyl]-N6-[5-[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]-L-lysine

(2S)-6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-2-(4-{5-[(2S)-2-アミノ-3-(9-オキソ-9,10-ジヒドロアクリジン-2-イル)プロパノイル]-1,5-ジアザシクロノナ-7-イン-1-イル}-4-オキソブタンアミド)ヘキサン酸
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： C43H54N8O8S
Molecular formula furigana： C43-H54-N8-O8-S
Molecular weight： 843.010
InChI： InChI=1S/C43H54N8O8S/c44-30(25-27-15-16-32-29(24-27)40(55)28-10-1-2-11-31(28)46-32)41(56)51-21-8-7-20-50(22-9-23-51)38(54)18-17-37(53)47-33(42(57)58)12-5-6-19-45-36(52)14-4-3-13-35-39-34(26-60-35)48-43(59)49-39/h1-2,10-11,15-16,24,30,33-35,39H,3-6,9,12-14,17-23,25-26,44H2,(H,45,52)(H,46,55)(H,47,53)(H,57,58)(H2,48,49,59)/t30-,33-,34-,35-,39-/m0/s1
InChI key： NFJDWKSMUOTLHG-CVYQTGRUSA-N
SMILES： N[C@@H](Cc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)N1CCCN(CC#CC1)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O
Systematic name  (3)：
  • N2-[1,4-ジオキソ-4-[5-[3-(9-オキソ-9,10-ジヒドロアクリジン-2-イル)-L-アラニル]-2,3,4,5,6,9-ヘキサヒドロ-7,8-ジデヒドロ-1H-1,5-ジアゾニン-1-イル]ブチル]-N6-[5-[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4α-イル]ペンタノイル]-L-リシン
  • (2S)-6-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-2-(4-{5-[(2S)-2-アミノ-3-(9-オキソ-9,10-ジヒドロアクリジン-2-イル)プロパノイル]-1,5-ジアザシクロノナ-7-イン-1-イル}-4-オキソブタンアミド)ヘキサン酸
  • (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-(4-{5-[(2S)-2-amino-3-(9-oxo-9,10-dihydroacridin-2-yl)propanoyl]-1,5-diazacyclonon-7-yn-1-yl}-4-oxobutanamido)hexanoic acid
Other name (1)：
  • N2-[1,4-Dioxo-4-[5-[3-(9-oxo-9,10-dihydroacridine-2-yl)-L-alanyl]-2,3,4,5,6,9-hexahydro-7,8-didehydro-1H-1,5-diazonine-1-yl]butyl]-N6-[5-[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]-L-lysine
Thsaurus map：
Thesaurus Map

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