Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2C(C(=O)NCc1ccc(N(O)O)cc1)CC(O)C2)Cc3onc(c3)C |
InChI | InChI | 1.03 | InChI=1S/C18H22N4O6/c1-11-6-15(28-20-11)8-17(24)21-10-14(23)7-16(21)18(25)19-9-12-2-4-13(5-3-12)22(26)27/h2-6,14,16,23,26-27H,7-10H2,1H3,(H,19,25)/t14-,16+/m1/s1 |
InChIKey | InChI | 1.03 | WJYVXCQUWDPFNN-ZBFHGGJFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)on1 |
SMILES | CACTVS | 3.385 | Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)N(O)O)on1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)N(O)O)O |