IMG
Summary
| Name: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL |
| Synonyms: | IMMUCILLIN-G |
| Formula: | C11 H15 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.341 | NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(C(C(N3)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | KBIDJCVAURJXFG-PVEDRDFWSA-N |
