ELEDOISIN ACETATE ,69-25-0 _Chemical Cloud Database

ELEDOISIN ACETATE

Basic Information
Product Name：	ELEDOISIN ACETATE
CAS：	69-25-0
English Synonyms：	ELEDOISIN ; ELEDOISIN ACETATE ; ELEDOISIN ACETATE SALT ; PYR-PRO-SER-LYS-ASP-ALA-PHE-ILE-GLY-LEU-MET-NH2 ACETATE SALT
MDL Number.：	MFCD16876066
H bond acceptor：	28
H bond donor：	14
Smile：	CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCC(=O)N3.CC(=O)O
InChi：	InChI=1S/C54H85N13O15S.C2H4O2/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35;1-2(3)4/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72);1H3,(H,3,4)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-;/m0./s1
InChiKey：	InChIKey=RDMVPYOYHLCAAN-JSMOHVFGSA-N

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