Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC2C(SCC2N1)CCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 |
InChIKey | InChI | 1.03 | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
SMILES | CACTVS | 3.385 | OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 |
SMILES | OpenEye OEToolkits | 1.7.6 | C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 |