BLEOMYCIN A1

58995-26-9

MFCD01740703

C54 H81 N17 O22 S3

1416.53

InChI=1S/C54H81N17O22S3/c1-19-32(68-45(71-43(19)57)24(11-30(56)75)63-12-23(55)44(58)81)49(85)70-34(40(25-13-60-18-64-25)91-53-42(38(79)36(77)28(14-72)90-53)92-52-39(80)41(93-54(59)87)37(78)29(15-73)89-52)50(86)65-21(3)35(76)20(2)46(82)69-33(22(4)74)48(84)62-9-7-31-66-27(17-94-31)51-67-26(16-95-51)47(83)61-8-6-10-96(5)88/h13,16-18,20-24,28-29,33-42,52-53,63,72-74,76-80H,6-12,14-15,55H2,1-5H3,(H2,56,75)(H2,58,81)(H2,59,87)(H,60,64)(H,61,83)(H,62,84)(H,65,86)(H,69,82)(H,70,85)(H2,57,68,71)/t20-,21-,22-,23+,24+,28+,29-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,52-,53-,96?/m1/s1

InChIKey=GMYNGXLEGQPRFK-ZYIGYYEJSA-N

Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(=O)C)O

H bond donor:20

H bond acceptor:39

XLogP3:0.0

Bulk/Fine:F