7TC
Summary
| Name: | (2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid |
| Formula: | C11 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 225.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S})-3-methyl-4-methylidene-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | GGYAWCWTCNLFOB-KDBVAPGDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(O)=O)C(=C)[C@@H]1C |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H](N=C(C1=C)C(=O)O)[C@H](C=O)[C@@H](C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(N=C(C1=C)C(=O)O)C(C=O)C(C)O |
