Molecule ID: mol32263
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)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
InChI: InChI=1S/C48H69N11O11/c1-24(2)37(56-44(67)38(25(3)4)58-47(70)48(6,7)51)43(66)55-34(21-27-14-16-29(61)17-15-27)46(69)59-20-10-13-35(59)42(65)54-33(22-28-23-52-31-12-9-8-11-30(28)31)41(64)57-39(26(5)60)45(68)53-32(40(50)63)18-19-36(49)62/h8-9,11-12,14-17,23-26,32-35,37-39,52,60-61H,10,13,18-22,51H2,1-7H3,(H2,49,62)(H2,50,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)(H,57,64)(H,58,70)/t26-,32+,33+,34+,35+,37+,38+,39+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.17 | OCHEM | 1 » 0 |