ALARELIN ACETATE ,79561-22-1 _Chemical Cloud Database

ALARELIN ACETATE

Basic Information
Product Name：	ALARELIN ACETATE
CAS：	79561-22-1
English Synonyms：	DES-GLY10,[D-ALA6]-LH-RH ETHYLAMIDE ACETATE SALT ; [D- ALA6 ,DES-GLY10 ]-LH-RH ETHYLAMIDE ; ALARELIN ACETATE ; PGLU-HIS-TRP-SER-TYR-D-ALA-LEU-ARG-PRO-NHC2H5 ; ALARELIN (ACETATE) ; PYR-HIS-TRP-SER-TYR-D-ALA-LEU-ARG-PRO-NHET ACETATE ; ALARELIN
MDL Number.：	MFCD00133490
H bond acceptor：	28
H bond donor：	16
Smile：	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O
InChi：	InChI=1S/C56H78N16O12.C2H4O2/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38;1-2(3)4/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61);1H3,(H,3,4)/t31-,38+,39+,40+,41+,42+,43+,44+,45+;/m1./s1
InChiKey：	InChIKey=IMRONVSKLHSCMF-VPRUXXQWSA-N

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