NTR
Summary
Name: | META-HYDROXY BETA NOR-TYROSINE |
Formula: | C8 H9 N O4 |
Formal charge: | 0 |
Formula weight: | 183.161 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2R)-amino(3,4-dihydroxyphenyl)ethanoic acid |
OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-2-(3,4-dihydroxyphenyl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(c1cc(O)c(O)cc1)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C(O)=O)c1ccc(O)c(O)c1 |
SMILES | CACTVS | 3.341 | N[CH](C(O)=O)c1ccc(O)c(O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[C@H](C(=O)O)N)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(C(=O)O)N)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-2-5(10)6(11)3-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1 |
InChIKey | InChI | 1.03 | ZBWTWPZGSGMRTG-SSDOTTSWSA-N |