Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(O)CCSCC(N2c1c(cccc1)OC(C2)C(N)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H16N2O5S/c15-14(20)11-7-16(9-3-1-2-4-10(9)21-11)12(17)8-22-6-5-13(18)19/h1-4,11H,5-8H2,(H2,15,20)(H,18,19)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | SDNYVGUVTOZEQL-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CN(C(=O)CSCCC(O)=O)c2ccccc2O1 |
SMILES | CACTVS | 3.385 | NC(=O)[CH]1CN(C(=O)CSCCC(O)=O)c2ccccc2O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CSCCC(=O)O |