DEMOXYTOCIN ,113-78-0 _Chemical Cloud Database

DEMOXYTOCIN

Basic Information
Product Name：	DEMOXYTOCIN
CAS：	113-78-0
English Synonyms：	DEMOXYTOCIN
MDL Number.：	MFCD00867797
H bond acceptor：	23
H bond donor：	11
Smile：	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)Cc2ccc(cc2)O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
InChi：	InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)
InChiKey：	InChIKey=GTYWGUNQAMYZPF-UHFFFAOYSA-N

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