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

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CHEBI:60967 - Ac-Cha-Arg-Disc-Met-NH₂

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ChEBI ID	CHEBI:60967
ChEBI Name	Ac-Cha-Arg-Disc-Met-NH₂
Stars
ASCII Name	Ac-Cha-Arg-Disc-Met-NH2
Definition	A synthetic tetrapeptide comprising Ac-Cha, Arg, Disc and Met-NH₂ residues coupled in sequence.
Last Modified	14 January 2011
Submitter	Steve
Downloads	Molfile

Formula	C31H48N8O5S
Net Charge	0
Average Mass	644.843
Monoisotopic Mass	644.34684
SMILES	CSCC[C@H](NC(=O)[C@@H]1c2ccccc2CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(N)=O
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

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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	Source
AcChaArgDiscMetNH2	ChEBI
Ac-(Cha)R(Disc)M-NH₂	ChEBI

Citations