Chem
J-GLOBAL ID：200907031027559843   Nikkaji number：J1.353.481K

Argadin

アルガジン
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： C29H42N10O9
Molecular formula furigana： C29-H42-N10-O9
Molecular weight： 674.716
InChI： InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21+,22+/m0/s1
InChI key： FOZYKTUSOWWQGR-YVZLVKDNSA-N
SMILES： CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@@H](Cc2c[nH]cn2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
Systematic name  (3)：
  • シクロ[D-Pro-[(2R)-2-[(3S,5R)-2-オキソ-3-アミノ*-5-ヒドロキシピロリジノ]-3-(1H-イミダゾール-4-イル)プロピオニル]-L-Aad-Nω-アセチル-L-Arg-]
  • 4-[(1S,4R,10S,13S,16R,18R)-10-{3-[(アセトアミドメタンイミドイル)アミノ]プロピル}-18-ヒドロキシ-16-[(1H-イミダゾール-4-イル)メチル]-3,9,12,15,20-ペンタオキソ-2,8,11,14,17-ペンタアザトリシクロ[15.2.1.04,8]イコサン-13-イル]ブタン酸
  • 4-[(1S,4R,10S,13S,16R,18R)-10-{3-[(acetamidomethanimidoyl)amino]propyl}-18-hydroxy-16-[(1H-imidazol-4-yl)methyl]-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentaazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid
Other name (3)：
  • Cyclo[D-Pro-[(2R)-2-[(3S,5R)-2-oxo-3-amino*-5-hydroxypyrrolizino]-3-(1H-imidazole-4-yl)propionyl]-L-Aad-Nω-acetyl-L-Arg-]
  • アルガジン
  • Argadin
CAS registry number： 289665-92-5
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