Ac-Cha-Arg-Tic-Haic-Ser-MeLeu-NH2 (CHEBI:60964)

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CHEBI:60964 - Ac-Cha-Arg-Tic-Haic-Ser-MeLeu-NH₂

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ChEBI ID	CHEBI:60964
ChEBI Name	Ac-Cha-Arg-Tic-Haic-Ser-MeLeu-NH₂
Stars
ASCII Name	Ac-Cha-Arg-Tic-Haic-Ser-MeLeu-NH2
Definition	A synthetic six-membered oligopeptide comprising Ac-Cha, Arg, Tic, Haic, Ser and MeLeu-NH₂ residues coupled in sequence.
Last Modified	14 January 2011
Submitter	Steve
Downloads	Molfile

Formula	C50H71N11O9
Net Charge	0
Average Mass	970.186
Monoisotopic Mass	969.54362
SMILES	CC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCc2cccc3c2N(C1=O)C(C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](CC(C)C)C(N)=O)C3
InChI	InChI=1S/C50H71N11O9/c1-28(2)22-39(43(51)64)59(4)47(68)38(27-62)58-46(67)41-25-33-17-10-16-31-19-20-36(49(70)61(41)42(31)33)57-45(66)40-24-32-14-8-9-15-34(32)26-60(40)48(69)35(18-11-21-54-50(52)53)56-44(65)37(55-29(3)63)23-30-12-6-5-7-13-30/h8-10,14-17,28,30,35-41,62H,5-7,11-13,18-27H2,1-4H3,(H2,51,64)(H,55,63)(H,56,65)(H,57,66)(H,58,67)(H4,52,53,54)/t35-,36?,37-,38-,39-,40-,41?/m0/s1
InChIKey	JWVRQMNPHOQVEB-DACKJHRPSA-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-Tic-Haic-Ser-MeLeu-NH₂ (CHEBI:60964) is a oligopeptide (CHEBI:25676)

IUPAC Name
N-{[5-({[(3S)-2-(N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}amino)-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl]carbonyl}-L-seryl-N²-methyl-L-leucinamide

Synonyms	Source
Ac-(Cha)R(Tic)(Haic)S(MeL)-NH₂	ChEBI
AcChaArgTicHaicSerMeLeuNH2	ChEBI