Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1OC(C(C=CC(=O)C(CC(C)C(OC(=O)CCN(C)C)C1C)C)C)CC |
InChI | InChI | 1.03 | InChI=1S/C22H37NO5/c1-8-19-14(2)9-10-18(24)15(3)13-16(4)21(17(5)22(26)27-19)28-20(25)11-12-23(6)7/h9-10,14-17,19,21H,8,11-13H2,1-7H3/b10-9+/t14-,15-,16+,17-,19-,21+/m1/s1 |
InChIKey | InChI | 1.03 | ARTBSYNHBBHIBV-HSYQSNAQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CCN(C)C)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C |
SMILES | CACTVS | 3.385 | CC[CH]1OC(=O)[CH](C)[CH](OC(=O)CCN(C)C)[CH](C)C[CH](C)C(=O)C=C[CH]1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)CCN(C)C)C)C)C |