SMILES和InChIs
SMILES:
S(=O)(=O)(Oc1ccc(C[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)NCC(=O)N[C@@H](Cc2c3c([nH]c2)cccc3)C(=O)N[C@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)cc1)O
Canonical SMILES:
CCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)N
InChI:
InChI=1S/C45H57N9O14S/c1-3-4-13-33(42(61)53-36(22-38(57)58)44(63)52-34(40(47)59)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-48-32-14-9-8-12-30(28)32)50-37(56)24-49-45(64)39(25(2)55)54-41(60)31(46)19-27-15-17-29(18-16-27)68-69(65,66)67/h5-12,14-18,23,25,31,33-36,39,48,55H,3-4,13,19-22,24,46H2,1-2H3,(H2,47,59)(H,49,64)(H,50,56)(H,51,62)(H,52,63)(H,53,61)(H,54,60)(H,57,58)(H,65,66,67)/t25-,31+,33-,34+,35+,36+,39+/m1/s1
InChIKey:
GZCDGEPFXQGWOW-RMNOTBJOSA-N