PDB CCD ID: | CNT |
Number of entries in BioLiP: | 0 |
Chemical formula: | C10 H12 Cl N O3 |
InChI: | InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1 |
InChIKey: | OSKAMZCUXJHCPJ-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CNC(Cc1ccc(c(c1)Cl)O)C(=O)O | CACTVS 3.341 | CN[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O | OpenEye OEToolkits 1.5.0 | CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O | ACDLabs 10.04 | Clc1cc(ccc1O)CC(C(=O)O)NC | CACTVS 3.341 | CN[CH](Cc1ccc(O)c(Cl)c1)C(O)=O |
|
Name: | N-METHYL-META-CHLORO-TYROSINE; N-METHYL-3-CHLORO-TYROSINE |
ZINC: | ZINC000058638604 |