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SMILES: O=C1N2C(CCC2)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC(C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NC(C(=O)N6C(CCC6)C(=O)N(CC(=O)N(C(C(C)C)C(=O)OC5C)C)C)C(C)C)ccc(c4oc3c(c(=O)c2N)C)C)C(=O)NC1C(C)C)C)C)C Canonical SMILES: O=C1NC(C(C)C)C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C(C(=O)OC(C1NC(=O)c1c2nc3c(ccc(c3oc2c(c(=O)c1N)C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C(=O)C2N(C(=O)C(NC1=O)C(C)C)CCC2)C)C)C(C)C)C InChI: InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79) InChIKey: RJURFGZVJUQBHK-UHFFFAOYSA-N
CBID:845 http://www.chembase.cn/molecule-845.html