SDH
Summary
| Name: | (5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione |
| Formula: | C10 H16 N5 O9 P |
| Formal charge: | 0 |
| Formula weight: | 381.236 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione |
| OpenEye OEToolkits | 1.7.6 | (5S)-7-azanyl-1-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,3,6,8-tetrazaspiro[4.4]non-7-ene-2,4,9-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC(=O)N(C21NC(=NC1=O)N)C3OC(C(O)C3)COP(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16N5O9P/c11-8-12-6(17)10(14-8)7(18)13-9(19)15(10)5-1-3(16)4(24-5)2-23-25(20,21)22/h3-5,16,20-22,25H,1-2H2,(H,13,18,19)(H3,11,12,14,17)/t3-,4+,5+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | BTPRAWLYZNCXOI-XPCBYELVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)[C@@]2(N1)N([C@H]3C[C@H](O)[C@@H](CO[PH](O)(O)O)O3)C(=O)NC2=O |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)[C]2(N1)N([CH]3C[CH](O)[CH](CO[PH](O)(O)O)O3)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)[C@@]23C(=O)N=C(N3)N)COP(O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(OC1N2C(=O)NC(=O)C23C(=O)N=C(N3)N)COP(O)(O)O)O |
