COMPLESTATIN ,69598-75-0 _Chemical Cloud Database

COMPLESTATIN

Basic Information
Product Name：	COMPLESTATIN
CAS：	69598-75-0
English Synonyms：	COMPLESTATIN
MDL Number.：	MFCD06412591
H bond acceptor：	22
H bond donor：	12
Smile：	CN1C(Cc2ccc(cc2)Oc3cc4cc(c3O)-c5ccc6c(c5)[nH]cc6CC(C(=O)NC(C(=O)NC4C(=O)NC(C1=O)c7cc(c(c(c7)Cl)O)Cl)c8cc(c(c(c8)Cl)O)Cl)NC(=O)C(=O)c9cc(c(c(c9)Cl)O)Cl)C(=O)NC(c1ccc(cc1)O)C(=O)O
InChi：	InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)
InChiKey：	InChIKey=JJGZGELTZPACID-UHFFFAOYSA-N

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