PDB CCD ID: | 1TY |
Number of entries in BioLiP: | 0 |
Chemical formula: | C17 H18 N2 O4 |
InChI: | InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1 |
InChIKey: | JCOGSGITPATJKQ-AZDDOORDSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | N[C@@H](CC1=CC(=NCCc2ccccc2)C(=CC1=O)O)C(O)=O | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N | CACTVS 3.341 | N[CH](CC1=CC(=NCCc2ccccc2)C(=CC1=O)O)C(O)=O | ACDLabs 10.04 | O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CCN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N |
|
Name: | 3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE |
ZINC: | ZINC000058632081 |