Ac-Cha-Arg-Ala-Odapdc-Ser-Leu-NH2 (CHEBI:62366)

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CHEBI:62366 - Ac-Cha-Arg-Ala-Odapdc-Ser-Leu-NH₂

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ChEBI ID	CHEBI:62366
ChEBI Name	Ac-Cha-Arg-Ala-Odapdc-Ser-Leu-NH₂
Stars
ASCII Name	Ac-Cha-Arg-Ala-Odapdc-Ser-Leu-NH2
Definition	A synthetic six-membered oligopeptide comprising Ac-Cha, Arg, Ala, Odapdc, Ser and Leu-NH₂ residues coupled in sequence.
Last Modified	17 June 2011
Submitter	Steve
Downloads	Molfile

Formula	C39H66N12O10
Net Charge	0
Average Mass	863.031
Monoisotopic Mass	862.50249
SMILES	CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)N2C1=O
InChI	InChI=1S/C39H66N12O10/c1-21(2)18-27(32(40)55)48-36(59)29(20-52)49-37(60)30-13-9-17-50-31(54)15-14-26(38(61)51(30)50)47-33(56)22(3)44-34(57)25(12-8-16-43-39(41)42)46-35(58)28(45-23(4)53)19-24-10-6-5-7-11-24/h21-22,24-30,52H,5-20H2,1-4H3,(H2,40,55)(H,44,57)(H,45,53)(H,46,58)(H,47,56)(H,48,59)(H,49,60)(H4,41,42,43)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKey	QEKRSNWQHABWQX-ODKJCKIQSA-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-Ala-Odapdc-Ser-Leu-NH₂ (CHEBI:62366) is a oligopeptide (CHEBI:25676)

IUPAC Name
N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl-N-[(4S,7S)-4-{[(2S)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-7-yl]-L-alaninamide

Synonyms	Source
Ac(Cha)ArgAla(Odapdc)SerLeuNH₂	ChEBI
Ac-(Cha)RA(Odapdc)SL-NH₂	ChEBI

Citations