PDB CCD ID: | 01J |
Number of entries in BioLiP: | 0 |
Chemical formula: | C20 H24 N2 O4 |
InChI: | InChI=1S/C20H24N2O4/c23-19(24)18(21-20(25)22-11-13-26-14-12-22)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18,20-21,25H,11-14H2,(H,23,24)/t18-,20+/m1/s1 |
InChIKey: | GJAJEXRMMBBABJ-QUCCMNQESA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | c1ccc(cc1)C(c2ccccc2)C(C(=O)O)NC(N3CCOCC3)O | CACTVS 3.370 | O[C@@H](N[C@H](C(c1ccccc1)c2ccccc2)C(O)=O)N3CCOCC3 | ACDLabs 12.01 | O=C(O)C(NC(O)N1CCOCC1)C(c2ccccc2)c3ccccc3 | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)O)N[C@@H](N3CCOCC3)O | CACTVS 3.370 | O[CH](N[CH](C(c1ccccc1)c2ccccc2)C(O)=O)N3CCOCC3 |
|
Name: | N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanine |
ZINC: | ZINC000098207736 |