Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(=O)c1ccccc1)C3N(C(=O)C(CC2CCCC2)CN(O)C=O)CCC3 |
InChI | InChI | 1.03 | InChI=1S/C22H29N3O5/c26-15-24(30)14-18(13-16-7-4-5-8-16)22(29)25-12-6-11-19(25)21(28)23-20(27)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,30H,4-8,11-14H2,(H,23,27,28)/t18-,19+/m1/s1 |
InChIKey | InChI | 1.03 | JPSWIPZHYDYDLN-MOPGFXCFSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | ON(C[C@@H](CC1CCCC1)C(=O)N2CCC[C@H]2C(=O)NC(=O)c3ccccc3)C=O |
SMILES | CACTVS | 3.370 | ON(C[CH](CC1CCCC1)C(=O)N2CCC[CH]2C(=O)NC(=O)c3ccccc3)C=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)NC(=O)C2CCCN2C(=O)C(CC3CCCC3)CN(C=O)O |