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CHEBI:60988 - Ac-Cha-Arg-Tic-Nle-NHCH2CH2Ph

ChEBI IDCHEBI:60988
ChEBI NameAc-Cha-Arg-Tic-Nle-NHCH2CH2Ph
Stars
ASCII NameAc-Cha-Arg-Tic-Nle-NHCH2CH2Ph
DefinitionA synthetic tetrapeptide comprising Ac-Cha, Arg, Tic and Nle-NHCH2CH2Ph residues coupled in sequence.
Last Modified14 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC41H60N8O5
Net Charge0
Average Mass744.982
Monoisotopic Mass744.46867
SMILESCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C41H60N8O5/c1-3-4-20-33(37(51)44-24-22-29-14-7-5-8-15-29)47-39(53)36-26-31-18-11-12-19-32(31)27-49(36)40(54)34(21-13-23-45-41(42)43)48-38(52)35(46-28(2)50)25-30-16-9-6-10-17-30/h5,7-8,11-12,14-15,18-19,30,33-36H,3-4,6,9-10,13,16-17,20-27H2,1-2H3,(H,44,51)(H,46,50)(H,47,53)(H,48,52)(H4,42,43,45)/t33-,34-,35-,36-/m0/s1
InChIKeyGCKXQCBAEIHTRK-ZYADHFCISA-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)
Ac-Cha-Arg-Tic-Nle-NHCH2CH2Ph (CHEBI:60988) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
(3S)-2-(N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl)-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]hexan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Synonyms  Source
AcChaArgTicNleNHCH2CH2PhChEBI
Ac-(Ch)R(Tic)(Nle)-NHCH2CH2PhChEBI
Citations