G5H
Summary
| Name: | 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine |
| Formula: | C13 H18 N4 O11 S |
| Formal charge: | 0 |
| Formula weight: | 438.367 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18N4O11S/c14-5(3-8(19)20)11(23)16-29(25,26)27-4-6-9(21)10(22)12(28-6)17-2-1-7(18)15-13(17)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,16,23)(H,19,20)(H,15,18,24)/t5-,6+,9+,10+,12+/m0/s1 |
| InChIKey | InChI | 1.03 | PZIPESDCQNILCW-TUVSRKGYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(O)=O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O |
