Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc1ccc(nc1)C(C)NC(=O)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C |
InChI | InChI | 1.06 | InChI=1S/C21H25BrN4O2/c1-12(16-9-7-15(22)11-23-16)24-19(27)14-6-8-17-18(10-14)26(20(28)25-17)13(2)21(3,4)5/h6-13H,1-5H3,(H,24,27)(H,25,28)/t12-,13+/m0/s1 |
InChIKey | InChI | 1.06 | DLMZWVVEARAWSJ-QWHCGFSZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)c1ccc2NC(=O)N([C@H](C)C(C)(C)C)c2c1)c3ccc(Br)cn3 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1ccc2NC(=O)N([CH](C)C(C)(C)C)c2c1)c3ccc(Br)cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccc(cn1)Br)NC(=O)c2ccc3c(c2)N(C(=O)N3)[C@H](C)C(C)(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cn1)Br)NC(=O)c2ccc3c(c2)N(C(=O)N3)C(C)C(C)(C)C |