PVQ
Summary
| Name: | (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione |
| Synonyms: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
| Formula: | C9 H12 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 240.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4O4/c10-5(8(15)16)3-13-6-2-11-1-4(6)7(14)12-9(13)17/h5,11H,1-3,10H2,(H,15,16)(H,12,14,17)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | PGFCMMRTCMWFGC-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2=C(CN1)N(C(=O)NC2=O)CC(C(=O)O)N |
