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CHEBI:44838 - IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE

Default Structure
ChEBI IDCHEBI:44838
ChEBI NameIMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC41H56N17O8
Net Charge+1
Average Mass915.010
Monoisotopic Mass914.44923
SMILES[H]c1nc(C(=O)N([H])c2c([H])c(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])c3nc(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])c4nc(C(=O)N([H])c5c([H])c(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])[H])n(C([H])([H])[H])c5[H])n(C([H])([H])[H])c4[H])n(C([H])([H])[H])c3[H])n(C([H])([H])[H])c2[H])n(C([H])([H])[H])c1[H]
InChIInChI=1S/C41H55N17O8/c1-53(2)17-8-12-42-31(59)9-13-44-37(62)28-20-26(22-56(28)5)48-41(66)36-52-30(24-58(36)7)50-33(61)11-15-46-39(64)35-51-29(23-57(35)6)49-32(60)10-14-45-38(63)27-19-25(21-55(27)4)47-40(65)34-43-16-18-54(34)3/h16,18-24H,8-15,17H2,1-7H3,(H,42,59)(H,44,62)(H,45,63)(H,46,64)(H,47,65)(H,48,66)(H,49,60)(H,50,61)/p+1
InChIKeyXZTAUBIMIILCRT-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE (CHEBI:44838) is a unclassifieds (CHEBI:27189)
Synonyms  Source
IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDEPDBeChem
N,N-dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl)amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}propan-1-aminium (non-preferred name)PDBeChem
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