Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

AR5 : Summary

Code

AR5

One-letter code

X

Molecule name

N~2~-(tert-butoxycarbonyl)-L-arginine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~2~-(tert-butoxycarbonyl)-L-arginine
OpenEye OEToolkits 2.0.4 (2~{S})-5-carbamimidamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Formula

C11 H22 N4 O4

Formal charge

0

Molecular weight

274.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC(CCCN\C(=N)N)C(=O)O)OC(C)(C)C
SMILES CACTVS 3.385 CC(C)(C)OC(=O)N[CH](CCCNC(N)=N)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)O
Canonical SMILES CACTVS 3.385 CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 [H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C

IUPAC InChI

InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1

IUPAC InChI key

HSQIYOPBCOPMSS-ZETCQYMHSA-N
AR5

wwPDB Information

Atom count

41 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-30

Last modified at

2017-03-31

Status

Released

Obsoleted

Not Assigned