Chem
J-GLOBAL ID：200907044043280276   Nikkaji number：J2.595.694J

Eptidemnamide

エプチデムンアミド
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： C37H51N13O11
Molecular formula furigana： C37-H51-N13-O11
Molecular weight： 853.895
InChI： InChI=1S/C37H51N13O11/c38-27(51)10-9-23-33(58)44-16-28(52)43-17-29(53)46-22(7-3-11-41-37(39)40)32(57)45-18-30(54)47-24(14-31(55)56)34(59)49-25(13-19-15-42-21-6-2-1-5-20(19)21)36(61)50-12-4-8-26(50)35(60)48-23/h1-2,5-6,15,22-26,42H,3-4,7-14,16-18H2,(H2,38,51)(H,43,52)(H,44,58)(H,45,57)(H,46,53)(H,47,54)(H,48,60)(H,49,59)(H,55,56)(H4,39,40,41)/t22-,23-,24-,25-,26-/m0/s1
InChI key： ONMUUTHWFFIREX-LROMGURASA-N
SMILES： NC(=O)CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC1=O
Systematic name  (3)：
  • シクロ(Gln-Gly-Gly-Arg-Gly-Asp-Trp-Pro-)
  • 2-[(3S,12S,18S,21S,26aS)-12-(3-カルバムイミドアミドプロピル)-3-(2-カルバモイルエチル)-21-[(1H-インドール-3-イル)メチル]-1,4,7,10,13,16,19,22-オクタオキソ-ヘキサコサヒドロピロロ[1,2-a]1,4,7,10,13,16,19,22-オクタアザシクロテトラコサン-18-イル]酢酸
  • 2-[(3S,12S,18S,21S,26aS)-12-(3-carbamimidamidopropyl)-3-(2-carbamoylethyl)-21-[(1H-indol-3-yl)methyl]-1,4,7,10,13,16,19,22-octaoxo-hexacosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-18-yl]acetic acid
Other name (3)：
  • Cyclo(Gln-Gly-Gly-Arg-Gly-Asp-Trp-Pro-)
  • エプチデムンアミド
  • Eptidemnamide
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