SGV
Summary
| Name: | SANGIVAMYCIN |
| Synonyms: | 4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| Formula: | C12 H15 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 309.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 4-azanyl-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3ncnc(N)c13 |
| SMILES | CACTVS | 3.370 | NC(=O)c1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3ncnc(N)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | OBZJZDHRXBKKTJ-JTFADIMSSA-N |
