Name: | BLEOMYCIN A2, HYDROCHLORIDE |
CAS: | 49830-49-1 |
Synonyms: | BLEOMYCIN A2, HYDROCHLORIDE ; BLM A2, HCL |
MDL.: | MFCD01740700 |
H bond acceptor: | 38 |
H bond donor: | 20 |
Smile: | 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)NCCC[S+](C)C)O.Cl |
InChi: | InChI=1S/C55H83N17O21S3.ClH/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);1H/p+1/t21-,22-,23-,24+,25+,29+,30-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,53-,54-;/m1./s1 |
InChiKey: | InChIKey=BODDZCXQPQPRES-QTPRWPQCSA-O |
BLEOMYCIN A2, HYDROCHLORIDE
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