| PDB CCD ID: | 4DB |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H17 N3 O4 |
| InChI: | InChI=1S/C14H17N3O4/c1-16(2)8-3-4-9-10(7-8)13(19)17(12(9)18)6-5-11(15)14(20)21/h3-4,7,11H,5-6,15H2,1-2H3,(H,20,21)/t11-/m0/s1 |
| InChIKey: | PYWIWJYKCYMUMG-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 11.02 | O=C(O)C(N)CCN2C(=O)c1ccc(cc1C2=O)N(C)C | | CACTVS 3.352 | CN(C)c1ccc2C(=O)N(CC[CH](N)C(O)=O)C(=O)c2c1 | | OpenEye OEToolkits 1.7.0 | CN(C)c1ccc2c(c1)C(=O)N(C2=O)CCC(C(=O)O)N | | OpenEye OEToolkits 1.7.0 | CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC[C@@H](C(=O)O)N | | CACTVS 3.352 | CN(C)c1ccc2C(=O)N(CC[C@H](N)C(O)=O)C(=O)c2c1 |
|
| Name: | (2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid |
| ZINC: | ZINC000058626707 |
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