QM5
Summary
| Name: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid |
| Formula: | C18 H21 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 375.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O6/c1-26-14-8-6-13(7-9-14)21-20-12-4-2-11(3-5-12)10-27-16(18(24)25)15(19)17(22)23/h2-9,15-16,20-21H,10,19H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | FVCUHYYDCQQINH-HOTGVXAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NNc2ccc(CO[C@@H]([C@H](N)C(O)=O)C(O)=O)cc2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(NNc2ccc(CO[CH]([CH](N)C(O)=O)C(O)=O)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NNc2ccc(cc2)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NNc2ccc(cc2)COC(C(C(=O)O)N)C(=O)O |
