PU
Summary
| Name: | PUROMYCIN-N-AMINOPHOSPHONIC ACID |
| Formula: | C22 H30 N7 O8 P |
| Formal charge: | 0 |
| Formula weight: | 551.489 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-N-phosphono-L-tyrosyl)amino]adenosine |
| OpenEye OEToolkits | 1.5.0 | [[(2S)-1-[[(2S,3S,4R,5R)-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxo-propan-2-yl]amino]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)NC(C(=O)NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)Cc4ccc(OC)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(C[C@H](N[P](O)(O)=O)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(C[CH](N[P](O)(O)=O)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)NP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc4)OC)NP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(24-10-23-19)29(11-25-17)22-18(31)16(15(9-30)37-22)26-21(32)14(27-38(33,34)35)8-12-4-6-13(36-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9H2,1-3H3,(H,26,32)(H3,27,33,34,35)/t14-,15+,16+,18+,22+/m0/s1 |
| InChIKey | InChI | 1.03 | FHDMBNGCWMYGNF-NVWDDTSBSA-N |
