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CHEBI:63099 - N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide

ChEBI IDCHEBI:63099
ChEBI NameN6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide
Stars
ASCII NameN(6)-(N(6)-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N(6)-[4-(indol-3-yl)butanoyl]lysinamide
DefinitionA tripeptide that consists of N6-lysyl-lysyl-lysinamide where the two side-chain amino functions are acylated by 4-(indol-3-yl)butanoyl and 6-[(5-nitro-2-furoyl)amino]hexanoyl groups.
Last Modified24 October 2011
SubmitterSteve
DownloadsMolfile
FormulaC41H62N10O9
Net Charge0
Average Mass839.008
Monoisotopic Mass838.47012
SMILESNC(=O)C(CCCCNC(=O)CCCc1cnc2ccccc12)NC(=O)C(N)CCCCNC(=O)C(N)CCCCNC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C41H62N10O9/c42-30(15-5-9-23-45-35(52)19-2-1-8-25-48-41(57)34-21-22-37(60-34)51(58)59)39(55)47-26-10-6-16-31(43)40(56)50-33(38(44)54)18-7-11-24-46-36(53)20-12-13-28-27-49-32-17-4-3-14-29(28)32/h3-4,14,17,21-22,27,30-31,33,49H,1-2,5-13,15-16,18-20,23-26,42-43H2,(H2,44,54)(H,45,52)(H,46,53)(H,47,55)(H,48,57)(H,50,56)
InChIKeyVEWSWWXKWLILPJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63099) is a C-nitro compound (CHEBI:35716)
N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63099) is a furans (CHEBI:24129)
N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63099) is a indoles (CHEBI:24828)
N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63099) is a tripeptide (CHEBI:47923)
IUPAC Name 
N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N6-[4-(1H-indol-3-yl)butanoyl]lysinamide
Citations