Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1CCN(C1)C(=O)CCC1=Nc2c(cnn2C)C(=O)N1 |
InChI | InChI | 1.06 | InChI=1S/C14H17N5O4/c1-18-12-9(6-15-18)13(21)17-10(16-12)2-3-11(20)19-5-4-8(7-19)14(22)23/h6,8H,2-5,7H2,1H3,(H,22,23)(H,16,17,21)/t8-/m1/s1 |
InChIKey | InChI | 1.06 | DQMGMSFESKLRGX-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2C(=O)NC(=Nc12)CCC(=O)N3CC[C@H](C3)C(O)=O |
SMILES | CACTVS | 3.385 | Cn1ncc2C(=O)NC(=Nc12)CCC(=O)N3CC[CH](C3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cn1)C(=O)NC(=N2)CCC(=O)N3CC[C@H](C3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cn1)C(=O)NC(=N2)CCC(=O)N3CCC(C3)C(=O)O |