Obsolete: AR4
Summary
| Name: | 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid |
| Synonyms: | MODIFIED RIBOSYLATED GLUTAMYL ESTER |
| Formula: | C10 H16 F N O8 |
| Formal charge: | 0 |
| Formula weight: | 297.234 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | DAZJIIGIBQQBAL-WLUSSPCKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@]1(O)F)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCC(=O)O[CH]1O[CH](CO)[CH](O)[C]1(O)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N |
