Molecule ID: mol37279
SMILES: C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)CN)C(=O)O
InChI: InChI=1S/C18H23N5O5/c1-10(17(26)27)22-16(25)15(23-18(28)21-9-12(24)7-19)6-11-8-20-14-5-3-2-4-13(11)14/h2-5,8,10,15,20H,6-7,9,19H2,1H3,(H,22,25)(H,26,27)(H2,21,23,28)/t10-,15-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | QSARToolbox | 1 » 0 |