Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)[CH](C[CH](O)[CH](N)CC1CCCCC1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C(CC(C(CC1CCCCC1)N)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1 |
InChIKey | InChI | 1.03 | SRFUYEFGHOTBHV-IHRRRGAJSA-N |