CNT
Summary
Name: | N-METHYL-META-CHLORO-TYROSINE |
Synonyms: | N-METHYL-3-CHLORO-TYROSINE |
Formula: | C10 H12 Cl N O3 |
Formal charge: | 0 |
Formula weight: | 229.66 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-chloro-N-methyl-L-tyrosine |
OpenEye OEToolkits | 1.5.0 | (2S)-3-(3-chloro-4-hydroxy-phenyl)-2-methylamino-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc(ccc1O)CC(C(=O)O)NC |
SMILES_CANONICAL | CACTVS | 3.341 | CN[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |
SMILES | CACTVS | 3.341 | CN[CH](Cc1ccc(O)c(Cl)c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CNC(Cc1ccc(c(c1)Cl)O)C(=O)O |
InChI | InChI | 1.03 | 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 | InChI | 1.03 | OSKAMZCUXJHCPJ-QMMMGPOBSA-N |