Y32
Summary
| Name: | (2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid |
| Formula: | C18 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 342.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-5-azanyl-5-oxidanylidene-2-[(3-phenoxyphenyl)carbonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18N2O5/c19-16(21)10-9-15(18(23)24)20-17(22)12-5-4-8-14(11-12)25-13-6-2-1-3-7-13/h1-8,11,15H,9-10H2,(H2,19,21)(H,20,22)(H,23,24)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | MLMXIRRYCOORCS-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)CC[CH](NC(=O)c1cccc(Oc2ccccc2)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)C(=O)N[C@@H](CCC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2cccc(c2)C(=O)NC(CCC(=O)N)C(=O)O |
