Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCN(CC)C(c1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4ccccc4)C)=O |
InChI | InChI | 1.03 | InChI=1S/C31H39N3O2/c1-5-32(6-2)31(36)27-17-15-26(16-18-27)30(28-13-10-14-29(35)19-28)34-21-23(3)33(20-24(34)4)22-25-11-8-7-9-12-25/h7-19,23-24,30,35H,5-6,20-22H2,1-4H3/t23-,24+,30-/m1/s1 |
InChIKey | InChI | 1.03 | PQMGDEIHRXQPCQ-FSGGQHMVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(C[C@@H]2C)Cc3ccccc3)c4cccc(O)c4 |
SMILES | CACTVS | 3.385 | CCN(CC)C(=O)c1ccc(cc1)[CH](N2C[CH](C)N(C[CH]2C)Cc3ccccc3)c4cccc(O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)O)N3CC(N(CC3C)Cc4ccccc4)C |