MHY
Summary
| Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| Formula: | C15 H15 F2 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 355.294 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{Z})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C1=N/C(C(N1CC(O)=O)=O)=C\c2cc(F)c(c(c2)F)O)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | JOCWFVNTLFNTOQ-XMJMQUNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@H](N)C1=N\C(=C/c2cc(F)c(O)c(F)c2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)C1=NC(=Cc2cc(F)c(O)c(F)c2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H](C1=N/C(=C\c2cc(c(c(c2)F)O)F)/C(=O)N1CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C1=NC(=Cc2cc(c(c(c2)F)O)F)C(=O)N1CC(=O)O)N)O |
