A1L1U
Summary
| Name: | Nocardicin G |
| Synonyms: | (2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid |
| Formula: | C19 H19 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 385.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | SAVAPYNOQXYBJS-JYJNAYRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](C(=O)N[C@H]1CN([C@H](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | N[CH](C(=O)N[CH]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H](C(=O)N[C@H]2CN(C2=O)[C@H](c3ccc(cc3)O)C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(=O)NC2CN(C2=O)C(c3ccc(cc3)O)C(=O)O)N)O |
