Molecule ID: mol32264
SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C
InChI: InChI=1S/C45H66N10O9/c1-24(2)36(47)42(61)53-37(25(3)4)43(62)52-34(21-27-15-17-29(57)18-16-27)45(64)55-20-10-14-35(55)41(60)51-33(22-28-23-49-31-12-7-6-11-30(28)31)40(59)54-38(26(5)56)44(63)50-32(39(48)58)13-8-9-19-46/h6-7,11-12,15-18,23-26,32-38,49,56-57H,8-10,13-14,19-22,46-47H2,1-5H3,(H2,48,58)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,54,59)/t26-,32-,33+,34+,35+,36+,37+,38+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | OCHEM | 2 » 1 |