Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CCN)N2Cc1ccccc1c4c(c3c2cccc3)nnn4c5ccc(cc5)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C27H26N6O3/c28-14-13-24(34)32-16-18-5-1-2-6-20(18)26-25(21-7-3-4-8-23(21)32)30-31-33(26)19-11-9-17(10-12-19)15-22(29)27(35)36/h1-12,22H,13-16,28-29H2,(H,35,36)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | LNMCNCFOHZPTDX-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCC(=O)N1Cc2ccccc2c3n(nnc3c4ccccc14)c5ccc(C[C@H](N)C(O)=O)cc5 |
SMILES | CACTVS | 3.385 | NCCC(=O)N1Cc2ccccc2c3n(nnc3c4ccccc14)c5ccc(C[CH](N)C(O)=O)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)C[C@@H](C(=O)O)N)C(=O)CCN |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc-2c(c1)CN(c3ccccc3-c4c2n(nn4)c5ccc(cc5)CC(C(=O)O)N)C(=O)CCN |