NCS
中国新化学物质查询
3-氨基-4-亚氨基-利福霉素(3-Amino-4-deoxy-4-imino Rifamycin S)
3-Amino-4-imino-rifamycin S
CAS号: 62041-01-4
IUPAC名称: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26,27-diamino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl] acetate
分子式: C37H47N3O11
分子量: 709.78300
InChI: InChI=1S/C37H47N3O11/c1-15-11-10-12-16(2)36(47)40-28-27(39)26(38)23-24(32(28)45)31(44)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)41)19(5)30(43)18(4)29(15)42/h10-15,17-19,22,29-30,33,42-44H,38-39H2,1-9H3/b11-10+,14-13+,16-12-,40-28?/t15-,17+,18+,19+,22-,29-,30+,33+,37-/m0/s1
InChIKey: QBRFPWPICDILII-WVKYYCEASA-N
SMILES: C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C(C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N)N)/C
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