Chem
J-GLOBAL ID：200907027377752070   Nikkaji number：J2.397.126G

Cilengitide

シレンジチド
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： C25H37N7O6
Molecular formula furigana： C25-H37-N7-O6
Molecular weight： 531.614
InChI： InChI=1S/C25H37N7O6/c1-14(2)20-23(37)29-16(10-7-11-28-25(26)27)21(35)30-17(13-19(33)34)22(36)31-18(24(38)32(20)3)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,20H,7,10-13H2,1-3H3,(H,29,37)(H,30,35)(H,31,36)(H,33,34)(H4,26,27,28)/t16-,17-,18+,20-/m0/s1
InChI key： PBZNLFIDBLVLDU-GNBUJSLZSA-N
SMILES： CC(C)[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
Systematic name  (3)：
  • シクロ(L-Arg-L-αAsp-D-Phe-N-メチル-L-Val-)
  • 2-[(2S,5R,8S,11S)-5-ベンジル-11-(3-カルバムイミドアミドプロピル)-7-メチル-3,6,9,12-テトラオキソ-8-(プロパン-2-イル)-1,4,7,10-テトラアザシクロドデカン-2-イル]酢酸
  • 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12-tetraoxo-8-(propan-2-yl)-1,4,7,10-tetraazacyclododecan-2-yl]acetic acid
Other name (4)：
  • Cyclo(L-Arg-L-αAsp-D-Phe-N-methyl-L-Val-)
  • シレンギチド
  • Cilengitide
  • シレンジチド
CAS registry number： 188968-51-6
KEGG DRUG： D03497
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