6W4
Summary
| Name: | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide |
| Formula: | C32 H34 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 534.651 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C32H34N6O2/c33-18-22-11-13-26(14-12-22)32(40)37-20-27(38-21-29(35-36-38)25-15-16-25)17-30(37)31(39)34-19-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,25,27-28,30H,15-20,33H2,(H,34,39)/t27-,30-/m0/s1 |
| InChIKey | InChI | 1.03 | YBZBHUMSHGXQNF-FIBWVYCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)C(=O)N2C[C@H](C[C@H]2C(=O)NCC(c3ccccc3)c4ccccc4)n5cc(nn5)C6CC6 |
| SMILES | CACTVS | 3.385 | NCc1ccc(cc1)C(=O)N2C[CH](C[CH]2C(=O)NCC(c3ccccc3)c4ccccc4)n5cc(nn5)C6CC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)C(CNC(=O)C2CC(CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6 |
