EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63094 - N2-{[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N1-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide

ChEBI IDCHEBI:63094
ChEBI NameN2-{[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N1-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide
Stars
ASCII NameN(2)-{[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N(1)-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide
DefinitionA dipeptide derivative that consists of arginylaspartamide having a 2-[(5-sulfo-1-naphthyl)amino]ethyl group attached to the amide nitrogen at the carboxy terminus and a [2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl group attached to the amino terminus.
Last Modified24 October 2011
SubmitterSteve
DownloadsMolfile
FormulaC40H54N10O10S
Net Charge0
Average Mass866.999
Monoisotopic Mass866.37451
SMILESN=C(N)NCCCC(NC(=O)COCCOCCNC(=O)CCCc1cnc2ccccc12)C(=O)NC(CC(N)=O)C(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C40H54N10O10S/c41-35(51)23-33(38(54)46-18-17-44-31-12-4-10-29-28(31)9-5-14-34(29)61(56,57)58)50-39(55)32(13-6-16-47-40(42)43)49-37(53)25-60-22-21-59-20-19-45-36(52)15-3-7-26-24-48-30-11-2-1-8-27(26)30/h1-2,4-5,8-12,14,24,32-33,44,48H,3,6-7,13,15-23,25H2,(H2,41,51)(H,45,52)(H,46,54)(H,49,53)(H,50,55)(H4,42,43,47)(H,56,57,58)
InChIKeyLOOWSPMORHQPBP-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)
N2-{[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N1-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide (CHEBI:63094) is a arenesulfonic acid (CHEBI:33555)
N2-{[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N1-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide (CHEBI:63094) is a dipeptide (CHEBI:46761)
N2-{[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N1-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide (CHEBI:63094) is a indoles (CHEBI:24828)
IUPAC Name 
N2-{[2-(2-{[4-(1H-indol-3-yl)butanoyl]amino}ethoxy)ethoxy]acetyl}arginyl-N1-{2-[(5-sulfo-1-naphthyl)amino]ethyl}aspartamide
Citations