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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N6-[N6-(N6-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N6-[4-(indol-3-yl)butanoyl]lysinamide ChEBI ID CHEBI:63100 ChEBI ASCII Name N(6)-[N(6)-(N(6)-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl]lysyl-N(6)-[4-(indol-3-yl)butanoyl]lysinamide Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C47H74N12O10 Net Charge 0 Average Mass 967.16490 Monoisotopic Mass 966.56509 InChI InChI=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) InChIKey KPZWRGGWUNBLMX-UHFFFAOYSA-N SMILES NC(CCCCNC(=O)CCCCCNC(=O)c1ccc(o1)[N+]([O-])=O)C(=O)NCCCCC(N)C(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)CCCc1c[nH]c2ccccc12)C(N)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Citation Type Source 21944756 PubMed citation Europe PMC Last Modified 24 October 2011