Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 |
SMILES_CANONICAL | CACTVS | 3.352 | Cn1nc(cc1C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(O)=O)c4ccccc4 |
SMILES | CACTVS | 3.352 | Cn1nc(cc1C(=O)N[CH](Cc2[nH]c3ccccc3n2)C(O)=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cn1c(cc(n1)c2ccccc2)C(=O)NC(Cc3[nH]c4ccccc4n3)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | ZNVHZOFBOKBNIL-QGZVFWFLSA-N |