Chemical Components in the PDB

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7XC : Summary

Code

7XC

One-letter code

F

Molecule name

(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid

Systematic names

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

Formula

C10 H14 N4 O2

Formal charge

0

Molecular weight

222.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1CC(C(=O)O)N)NC(=N)N
Canonical SMILES CACTVS 3.385 N[C@H](Cc1ccc(NC(N)=N)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 [H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1

IUPAC InChI key

FYMNTAQFDTZISY-MRVPVSSYSA-N
7XC

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

2017-02-02

Last modified at

2018-07-06

Status

Released

Obsoleted

Not Assigned