Chem
J-GLOBAL ID：200907066592647649   Nikkaji number：J390.649C

CGP-15425

CGP-15425
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： C56H69N11O10
Molecular formula furigana： C56-H69-N11-O10
Molecular weight： 1056.235
InChI： InChI=1S/C56H69N11O10/c1-34(68)49-56(77)66-42(28-35-16-5-2-6-17-35)50(71)59-27-15-25-48(70)61-46(32-47(58)69)55(76)64-43(29-36-18-7-3-8-19-36)52(73)63-44(30-37-20-9-4-10-21-37)53(74)65-45(31-38-33-60-40-23-12-11-22-39(38)40)54(75)62-41(51(72)67-49)24-13-14-26-57/h2-12,16-23,33-34,41-46,49,60,68H,13-15,24-32,57H2,1H3,(H2,58,69)(H,59,71)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,65,74)(H,66,77)(H,67,72)/t34-,41+,42?,43+,44+,45?,46+,49+/m1/s1
InChI key： QKHNEJVHNFZQIY-YHIGDSBESA-N
SMILES： C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)CCCNC(=O)C(Cc2ccccc2)NC1=O
Systematic name  (3)：
  • シクロ(γAbu-L-Asn-L-Phe-L-Phe-D-Trp-L-Lys-L-Thr-L-Phe-)
  • 2-[(2S,5S,8S,11R,14S,17S,20S)-14-(4-アミノブチル)-5,8,20-トリベンジル-17-[(1R)-1-ヒドロキシエチル]-11-[(1H-インドール-3-イル)メチル]-3,6,9,12,15,18,21,26-オクタオキソ-1,4,7,10,13,16,19,22-オクタアザシクロヘキサコサン-2-イル]アセトアミド
  • 2-[(2S,5S,8S,11R,14S,17S,20S)-14-(4-aminobutyl)-5,8,20-tribenzyl-17-[(1R)-1-hydroxyethyl]-11-[(1H-indol-3-yl)methyl]-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaazacyclohexacosan-2-yl]acetamide
Other name (3)：
  • CGP-15-425
  • CGP-15425
  • Cyclo(γAbu-L-Asn-L-Phe-L-Phe-D-Trp-L-Lys-L-Thr-L-Phe-)
Thsaurus map：
Thesaurus Map

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