GYG
Summary
| Name: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
| Synonyms: | (1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
| Formula: | C11 H22 N4 O8 S |
| Formal charge: | 0 |
| Formula weight: | 370.379 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
| OpenEye OEToolkits | 2.0.6 | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-4-carbamimidamido-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CC(C(C(C(C(O)CO)O)O1)NC(C)=O)NC(\N)=N)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H22N4O8S/c1-4(17)14-8-5(15-11(12)13)2-7(24(20,21)22)23-10(8)9(19)6(18)3-16/h5-10,16,18-19H,2-3H2,1H3,(H,14,17)(H4,12,13,15)(H,20,21,22)/t5-,6+,7+,8+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | SMAXKAOIZYKFEF-IHICSVBISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@H](O)[C@H](O)CO)[S](O)(=O)=O)NC(N)=N |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](C[CH](O[CH]1[CH](O)[CH](O)CO)[S](O)(=O)=O)NC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)S(=O)(=O)O)NC(=N)N |
