SMILES和InChIs
SMILES:
C/C/1=C/2\[C@@]([C@@H](/C(=C/C3=N/C(=C(\C4=NC([C@@H]([C@@]4(C)CCC(=O)NC[C@@H](C)O)CC(=O)N)[C@]4([C@@]([C@@H](C1=N4)CCC(=O)N)(C)CC(=O)N)C)/C)/[C@H](C3(C)C)CCC(=O)N)/N2[Co]C#N)CCC(=O)N)(C)CC(=O)N.O
Canonical SMILES:
N#C[Co]N1/C/2=C\C3=N/C(=C(/C)\C4=NC([C@@]5(N=C(/C(=C\1/[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)/C)[C@@H](CCC(=O)N)[C@]5(C)CC(=O)N)C)[C@@H]([C@@]4(C)CCC(=O)NC[C@H](O)C)CC(=O)N)/[C@H](C3(C)C)CCC(=O)N.O
InChI:
InChI=1S/C48H73N11O8.CN.Co.H2O/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-2;;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);;;1H2/q;;+1;/p-1/t23-,26-,27-,28-,29+,43?,45-,46+,47+,48+;;;/m1.../s1
InChIKey:
HVTKRZRHJUUDGA-CIPWAPCHSA-M