basic_info |
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Product_Name: | BLEOMYCIN A2'-A |
CAS: | 73666-81-6 |
EnglishSynonyms: | BLEOMYCIN A2'-A |
pro_mdlNumber: | MFCD09838044 |
pro_acceptors: | 39 |
pro_donors: | 21 |
pro_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)NCCCCN)O |
InChi: | InChI=1S/C54H82N18O21S2/c1-19-32(69-45(72-43(19)58)24(11-30(57)76)64-12-23(56)44(59)82)49(86)71-34(40(25-13-61-18-65-25)91-53-42(38(80)36(78)28(14-73)90-53)92-52-39(81)41(93-54(60)88)37(79)29(15-74)89-52)50(87)66-21(3)35(77)20(2)46(83)70-33(22(4)75)48(85)63-10-7-31-67-27(17-94-31)51-68-26(16-95-51)47(84)62-9-6-5-8-55/h13,16-18,20-24,28-29,33-42,52-53,64,73-75,77-81H,5-12,14-15,55-56H2,1-4H3,(H2,57,76)(H2,59,82)(H2,60,88)(H,61,65)(H,62,84)(H,63,85)(H,66,87)(H,70,83)(H,71,86)(H2,58,69,72)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1 |
InChiKey: | InChIKey=HRWUAXHZSYGTMF-XOGQCRKLSA-N |
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