Molecule ID: mol37714
SMILES: N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChI: InChI=1S/C27H48N10O7/c28-12-2-1-7-17(25(42)37-15-5-9-20(37)23(40)35-18(26(43)44)10-11-21(30)38)34-22(39)19-8-4-14-36(19)24(41)16(29)6-3-13-33-27(31)32/h16-20H,1-15,28-29H2,(H2,30,38)(H,34,39)(H,35,40)(H,43,44)(H4,31,32,33)/t16-,17-,18-,19-,20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 21.12 | QSARToolbox | -2 » -3 |