| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(C(C(=O)O)CCCNC(=[N@H])N)C)C2N(C(=O)C(N)CC1CCCCC1)CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C21H38N6O4/c1-26(17(20(30)31)9-5-11-25-21(23)24)19(29)16-10-6-12-27(16)18(28)15(22)13-14-7-3-2-4-8-14/h14-17H,2-13,22H2,1H3,(H,30,31)(H4,23,24,25)/t15?,16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | YJMOXWABORLHFB-LRUHZDSUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN([C@@H](CCCNC(N)=N)C(O)=O)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC2CCCCC2 |
| SMILES | CACTVS | 3.370 | CN([CH](CCCNC(N)=N)C(O)=O)C(=O)[CH]1CCCN1C(=O)[CH](N)CC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN([C@@H](CCCNC(=N)N)C(=O)O)C(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2CCCCC2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C(CCCNC(=N)N)C(=O)O)C(=O)C1CCCN1C(=O)C(CC2CCCCC2)N |
