Molecule ID: mol32261
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](CCN)C(N)=O)[C@@H](C)O)C(C)C
InChI: InChI=1S/C43H62N10O9/c1-22(2)34(45)40(59)51-35(23(3)4)41(60)50-32(19-25-12-14-27(55)15-13-25)43(62)53-18-8-11-33(53)39(58)49-31(20-26-21-47-29-10-7-6-9-28(26)29)38(57)52-36(24(5)54)42(61)48-30(16-17-44)37(46)56/h6-7,9-10,12-15,21-24,30-36,47,54-55H,8,11,16-20,44-45H2,1-5H3,(H2,46,56)(H,48,61)(H,49,58)(H,50,60)(H,51,59)(H,52,57)/t24-,30-,31+,32+,33+,34+,35+,36+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.12 | OCHEM | 2 » 1 |