| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [C@H](C(=O)Nc4cccc(C(c2cc1c(c(C(=O)O)ccn1)s2)OCCN3CCCCC3)c4)=C |
| InChI | InChI | 1.03 | InChI=1S/C25H27N3O4S/c1-2-22(29)27-18-8-6-7-17(15-18)23(32-14-13-28-11-4-3-5-12-28)21-16-20-24(33-21)19(25(30)31)9-10-26-20/h2,6-10,15-16,23H,1,3-5,11-14H2,(H,27,29)(H,30,31)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | GFSKHNOSSPZNTP-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc2cc(sc12)[C@H](OCCN3CCCCC3)c4cccc(NC(=O)C=C)c4 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc2cc(sc12)[CH](OCCN3CCCCC3)c4cccc(NC(=O)C=C)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C=CC(=O)Nc1cccc(c1)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C=CC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4 |
