SMILES和InChIs
SMILES:
O=C1NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H]2CS(=O)c3c(C[C@@H]1NC(=O)[C@H]([C@@H](C)[C@@H](O)C)NC(=O)[C@H]1N(C(=O)[C@@H](NC2=O)CC(=O)O)C[C@@H](C1)O)c1c([nH]3)cc(cc1)O)[C@@H](C)CC
Canonical SMILES:
CC[C@@H]([C@@H]1NC(=O)CNC(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)CS(=O)c1c(C2)c2ccc(cc2[nH]1)O)CC(=O)O)C[C@@H](C3)O)[C@H]([C@@H](O)C)C)C
InChI:
InChI=1S/C39H53N9O14S/c1-5-16(2)31-36(59)41-12-28(52)42-26-15-63(62)38-22(21-7-6-19(50)8-23(21)45-38)10-24(33(56)40-13-29(53)46-31)43-37(60)32(17(3)18(4)49)47-35(58)27-9-20(51)14-48(27)39(61)25(11-30(54)55)44-34(26)57/h6-8,16-18,20,24-27,31-32,45,49-51H,5,9-15H2,1-4H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)/t16-,17-,18-,20+,24-,25-,26-,27-,31-,32-,63?/m0/s1
InChIKey:
OFILNAORONITPV-ZUROAWGWSA-N