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CHEBI:45326 - ARGADIN

Default Structure
ChEBI IDCHEBI:45326
ChEBI NameARGADIN
Stars
DownloadsMolfile
FormulaC29H40N10O9
Net Charge0
Average Mass672.700
Monoisotopic Mass672.29797
SMILES[H]/N=C(/N([H])C(=O)C([H])([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C(=O)N([H])[C@]2([H])C(=O)N(C(=O)C2([H])[H])[C@@]([H])(C([H])([H])c2nc([H])n([H])c2[H])C(=O)N([H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])C(=O)N1[H]
InChIInChI=1S/C29H40N10O9/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/h13-14,17-21H,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-/m0/s1
InChIKeyPGJAHAGEXUJGRQ-FCMAGTKHSA-N
ChEBI Ontology
Outgoing Relation(s)
ARGADIN (CHEBI:45326) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(3S,7S,10S,13S,18aR)-13-[3-(N'-acetylcarbamimidamido)propyl]-7-(1H-imidazol-4-ylmethyl)-1,5,8,11,14,19-hexaoxohexadecahydro-1H-3,6-methanopyrrolo[2,1-c][1,4,7,10,13]pentaazacyclohexadecin-10-yl]butanoic acidPDBeChem
ARGADINPDBeChem
Manual XrefsDatabases
RIGPDBeChem