Molecule ID: mol32265
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](CCC(N)=O)C(N)=O)[C@@H](C)O)C(C)C
InChI: InChI=1S/C44H62N10O10/c1-22(2)35(46)41(61)52-36(23(3)4)42(62)51-32(19-25-12-14-27(56)15-13-25)44(64)54-18-8-11-33(54)40(60)50-31(20-26-21-48-29-10-7-6-9-28(26)29)39(59)53-37(24(5)55)43(63)49-30(38(47)58)16-17-34(45)57/h6-7,9-10,12-15,21-24,30-33,35-37,48,55-56H,8,11,16-20,46H2,1-5H3,(H2,45,57)(H2,47,58)(H,49,63)(H,50,60)(H,51,62)(H,52,61)(H,53,59)/t24-,30+,31+,32+,33+,35+,36+,37+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.13 | OCHEM | 1 » 0 |