| PDB CCD ID: | QV1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H14 N2 O5 |
| InChI: | InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m1/s1 |
| InChIKey: | TZMSGRKICMJVLM-VXNVDRBHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@@H]1CN(C[C@H]1C(=O)O)C(=O)c2cccc3c2OC(=O)N3 | | CACTVS 3.385 | C[CH]1CN(C[CH]1C(O)=O)C(=O)c2cccc3NC(=O)Oc23 | | OpenEye OEToolkits 2.0.7 | CC1CN(CC1C(=O)O)C(=O)c2cccc3c2OC(=O)N3 | | CACTVS 3.385 | C[C@@H]1CN(C[C@H]1C(O)=O)C(=O)c2cccc3NC(=O)Oc23 | | ACDLabs 12.01 | O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12 |
|
| Name: | (3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid |
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