JANTHINOCIN B ,131086-53-8 _Chemical Cloud Database

JANTHINOCIN B

Basic Information
Product Name：	JANTHINOCIN B
CAS：	131086-53-8
English Synonyms：	JANTHINOCIN B
MDL Number.：	MFCD01716645
H bond acceptor：	28
H bond donor：	17
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)/C(=C(/c2c[nH]c3c2cccc3)\O)/NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)CO)[C@@H](C(C)C)O)CO)CCCN)Cc4ccccc4)C(C)C)N
InChi：	InChI=1S/C57H82N12O16/c1-9-29(7)40(59)52(79)69-44-47(28(5)6)85-57(84)37(23-31-17-12-11-13-18-31)63-49(76)36(21-16-22-58)62-55(82)43(46(74)33-24-60-35-20-15-14-19-32(33)35)68-50(77)38(25-70)64-48(75)34(10-2)61-54(81)42(45(73)27(3)4)67-51(78)39(26-71)65-53(80)41(30(8)72)66-56(44)83/h10-15,17-20,24,27-30,36-42,44-45,47,60,70-74H,9,16,21-23,25-26,58-59H2,1-8H3,(H,61,81)(H,62,82)(H,63,76)(H,64,75)(H,65,80)(H,66,83)(H,67,78)(H,68,77)(H,69,79)/b34-10+,46-43+/t29-,30+,36+,37-,38+,39+,40-,41-,42+,44+,45+,47-/m0/s1
InChiKey：	InChIKey=MDODWZNDNCDVHR-WZYIHFOZSA-N

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