NIKKOMYCIN J

77368-59-3

MFCD01725222

C24 H31 N7 O13

625.545

InChI=1S/C24H31N7O13/c1-8(15(36)19-26-6-9(32)7-27-19)13(25)20(39)30-14(21(40)28-10(23(41)42)2-3-12(34)35)18-16(37)17(38)22(44-18)31-5-4-11(33)29-24(31)43/h4-8,10,13-18,22,32,36-38H,2-3,25H2,1H3,(H,28,40)(H,30,39)(H,34,35)(H,41,42)(H,29,33,43)/t8?,10-,13-,14-,15?,16-,17+,18+,22+/m0/s1

InChIKey=PQTUQKWAZQSCFR-IXRXZVIISA-N

CC(C(c1ncc(cn1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

pro_donors:10

pro_acceptors:20

XLogP3:-6.0

Bulk/Fine:F