CI5
Summary
| Name: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
| Formula: | C24 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 416.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1 |
| InChIKey | InChI | 1.06 | CZGQFMWYGXCTGQ-LEWJYISDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC(=O)[C@H]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34 |
| SMILES | CACTVS | 3.385 | CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1ccc(cc1)N2C[C@@H](OC2=O)C(=O)N[C@@H](CC)c3cccc4c3cccc4)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1cccc2c1cccc2)NC(=O)C3CN(C(=O)O3)c4ccc(cc4)C(=N)N |
