Chemical Components in the PDB

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4II : Summary

Code

4II

One-letter code

F

Molecule name

(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid

Formula

C9 H10 N4 O2

Formal charge

0

Molecular weight

206.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1CC(C(=O)O)N)N=[N+]=[N-]
Canonical SMILES CACTVS 3.385 N[C@@H](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1C[C@@H](C(=O)O)N)N=[N+]=[N-]

IUPAC InChI

InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1

IUPAC InChI key

NEMHIKRLROONTL-QMMMGPOBSA-N
4II

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

Phe

Defined at

2018-08-19

Last modified at

2018-11-30

Status

Released

Obsoleted

Not Assigned