| PDB CCD ID: | T7Q |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H15 N2 O3 |
| InChI: | InChI=1S/C16H14N2O3/c17-12(16(20)21)8-9-5-6-14-11(7-9)15(19)10-3-1-2-4-13(10)18-14/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/p+1/t12-/m0/s1 |
| InChIKey: | NPALYBYZIAGBTE-LBPRGKRZSA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | [NH3+][CH](Cc1ccc2Nc3ccccc3C(=O)c2c1)C(O)=O | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(=O)c3cc(ccc3N2)CC(C(=O)O)[NH3+] | | CACTVS 3.385 | [NH3+][C@@H](Cc1ccc2Nc3ccccc3C(=O)c2c1)C(O)=O | | ACDLabs 12.01 | O=C(O)C([NH3+])Cc1cc2C(=O)c3ccccc3Nc2cc1 | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(=O)c3cc(ccc3N2)C[C@@H](C(=O)O)[NH3+] |
|
| Name: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid;
acridone amino acid (RS1) |
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