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CHEBI:62367 - Ac-Cha-Arg-MeAla-Haic-NHCH(CH2OH)2

Default Structure
ChEBI IDCHEBI:62367
ChEBI NameAc-Cha-Arg-MeAla-Haic-NHCH(CH2OH)2
Stars
ASCII NameAc-Cha-Arg-MeAla-Haic-NHCH(CH2OH)2
DefinitionA synthetic tetrapeptide comprising Ac-Cha, Arg, MeAla and Haic-NHCH(CH2OH)2 residues coupled in sequence.
Last Modified17 June 2011
SubmitterSteve
DownloadsMolfile
FormulaC37H57N9O8
Net Charge0
Average Mass755.918
Monoisotopic Mass755.43301
SMILESCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)NC1CCc2cccc3c2N(C1=O)C(C(=O)NC(CO)CO)C3
InChIInChI=1S/C37H57N9O8/c1-21(32(50)43-28-15-14-24-11-7-12-25-18-30(46(31(24)25)36(28)54)34(52)42-26(19-47)20-48)45(3)35(53)27(13-8-16-40-37(38)39)44-33(51)29(41-22(2)49)17-23-9-5-4-6-10-23/h7,11-12,21,23,26-30,47-48H,4-6,8-10,13-20H2,1-3H3,(H,41,49)(H,42,52)(H,43,50)(H,44,51)(H4,38,39,40)/t21-,27-,28?,29-,30?/m0/s1
InChIKeyUBDNQPJJUHGLOQ-GSVSKUDUSA-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-MeAla-Haic-NHCH(CH2OH)2 (CHEBI:62367) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl-N-{2-[(1,3-dihydroxypropan-2-yl)carbamoyl]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-5-yl}-N2-methyl-L-alaninamide
Synonyms  Source
Ac(Cha)Arg(MeA)(Haic)NHCH(CH2OH)2ChEBI
Ac-(Cha)R(MeA)(Haic)-NHCH(CH2OH)2ChEBI
Citations