CHEBI:60967 - Ac-Cha-Arg-Disc-Met-NH2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ac-Cha-Arg-Disc-Met-NH2
ChEBI ID CHEBI:60967
ChEBI ASCII Name Ac-Cha-Arg-Disc-Met-NH2
Definition A synthetic tetrapeptide comprising Ac-Cha, Arg, Disc and Met-NH2 residues coupled in sequence.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H48N8O5S
Net Charge 0
Average Mass 644.82800
Monoisotopic Mass 644.34684
InChI InChI=1S/C31H48N8O5S/c1-19(40)36-25(17-20-9-4-3-5-10-20)28(42)38-24(13-8-15-35-31(33)34)30(44)39-18-21-11-6-7-12-22(21)26(39)29(43)37-23(27(32)41)14-16-45-2/h6-7,11-12,20,23-26H,3-5,8-10,13-18H2,1-2H3,(H2,32,41)(H,36,40)(H,37,43)(H,38,42)(H4,33,34,35)/t23-,24-,25-,26-/m0/s1
InChIKey UCSIGHLEKGDKEA-CQJMVLFOSA-N
SMILES CSCC[C@H](NC(=O)[C@H]1N(Cc2ccccc12)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)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 Ac-Cha-Arg-Disc-Met-NH2 (CHEBI:60967) is a tetrapeptide (CHEBI:48030)
IUPAC Name
(1S)-2-(N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl)-N-[(2S)-1-amino-4-(methylsulfanyl)-1-oxobutan-2-yl]isoindoline-1-carboxamide
Synonyms Sources
Ac-(Cha)R(Disc)M-NH2 ChEBI
AcChaArgDiscMetNH2 ChEBI
Citation Waiting for Citations Type Source
17081730 PubMed citation Europe PMC
Last Modified
14 January 2011