Chemical Components in the PDB

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NIY : Summary

Code

NIY

One-letter code

Y

Molecule name

META-NITRO-TYROSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-nitro-L-tyrosine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid

Formula

C9 H10 N2 O5

Formal charge

0

Molecular weight

226.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N
SMILES CACTVS 3.341 N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O

IUPAC InChI

InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1

IUPAC InChI key

FBTSQILOGYXGMD-LURJTMIESA-N
NIY

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TYR

Defined at

2001-10-24

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned