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CHEBI:60969 - Ac-Cha-Gpg-Disc-Met-NH2

ChEBI IDCHEBI:60969
ChEBI NameAc-Cha-Gpg-Disc-Met-NH2
Stars
ASCII NameAc-Cha-Gpg-Disc-Met-NH2
DefinitionA synthetic tetrapeptide comprising Ac-Cha, Cpg, Disc and Met-NH2 residues coupled in sequence.
Last Modified14 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC33H50N8O5S
Net Charge0
Average Mass670.881
Monoisotopic Mass670.36249
SMILESCSCC[C@H](NC(=O)[C@@H]1c2ccccc2CN1C(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C1CCN(C(=N)N)CC1)C(N)=O
InChIInChI=1S/C33H50N8O5S/c1-20(42)37-26(18-21-8-4-3-5-9-21)30(44)39-27(22-12-15-40(16-13-22)33(35)36)32(46)41-19-23-10-6-7-11-24(23)28(41)31(45)38-25(29(34)43)14-17-47-2/h6-7,10-11,21-22,25-28H,3-5,8-9,12-19H2,1-2H3,(H2,34,43)(H3,35,36)(H,37,42)(H,38,45)(H,39,44)/t25-,26-,27-,28-/m0/s1
InChIKeyDOSQIRIQFJYIPS-LJWNLINESA-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-Gpg-Disc-Met-NH2 (CHEBI:60969) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
(1S)-2-[(2S)-2-[(N-acetyl-3-cyclohexyl-L-alanyl)amino]-2-(1-carbamimidoylpiperidin-4-yl)acetyl]-N-[(2S)-1-amino-4-(methylsulfanyl)-1-oxobutan-2-yl]isoindoline-1-carboxamide
Synonyms  Source
Ac-(Cha)(Gpg)(Disc)M-NH2ChEBI
AcChaGpgDiscMetNH2ChEBI
Citations