Molecule ID: mol32262
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](CCCN)C(N)=O)[C@@H](C)O)C(C)C
InChI: InChI=1S/C44H64N10O9/c1-23(2)35(46)41(60)52-36(24(3)4)42(61)51-33(20-26-14-16-28(56)17-15-26)44(63)54-19-9-13-34(54)40(59)50-32(21-27-22-48-30-11-7-6-10-29(27)30)39(58)53-37(25(5)55)43(62)49-31(38(47)57)12-8-18-45/h6-7,10-11,14-17,22-25,31-37,48,55-56H,8-9,12-13,18-21,45-46H2,1-5H3,(H2,47,57)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,53,58)/t25-,31-,32+,33+,34+,35+,36+,37+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.83 | OCHEM | 2 » 1 |