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CHEBI:63100 - N6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide

ChEBI IDCHEBI:63100
ChEBI NameN6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide
Stars
ASCII NameN(6)-[N(6)-(N(6)-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N(6)-[4-(indol-3-yl)butanoyl]lysinamide
DefinitionA tetrapeptide that consists of [(N6-lysyl)-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
FormulaC47H74N12O10
Net Charge0
Average Mass967.183
Monoisotopic Mass966.56509
SMILESNC(=O)C(CCCCNC(=O)CCCc1cnc2ccccc12)NC(=O)C(N)CCCCNC(=O)C(N)CCCCNC(=O)C(N)CCCCNC(=O)CCCCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C47H74N12O10/c48-34(17-5-10-26-52-40(60)22-2-1-9-28-56-47(66)39-24-25-42(69-39)59(67)68)44(63)54-29-11-6-18-35(49)45(64)55-30-12-7-19-36(50)46(65)58-38(43(51)62)21-8-13-27-53-41(61)23-14-15-32-31-57-37-20-4-3-16-33(32)37/h3-4,16,20,24-25,31,34-36,38,57H,1-2,5-15,17-19,21-23,26-30,48-50H2,(H2,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,64)(H,56,66)(H,58,65)
InChIKeyKPZWRGGWUNBLMX-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-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63100) is a C-nitro compound (CHEBI:35716)
N6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63100) is a furans (CHEBI:24129)
N6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63100) is a indoles (CHEBI:24828)
N6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide (CHEBI:63100) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
N6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(1H-indol-3-yl)butanoyl]lysinamide
Citations