Chemical Components in the PDB

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CMA : Summary

Code

CMA

One-letter code

X

Molecule name

N2-(CARBOXYETHYL)-L-ARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-(2-carboxyethyl)-L-arginine
OpenEye OEToolkits 1.5.0 (2S)-5-carbamimidamido-2-(2-carboxyethylamino)pentanoic acid

Formula

C9 H18 N4 O4

Formal charge

0

Molecular weight

246.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCNC(C(=O)O)CCCNC(=[N@H])N
SMILES CACTVS 3.341 NC(=N)NCCC[CH](NCCC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(C(=O)O)NCCC(=O)O)CNC(=N)N
Canonical SMILES CACTVS 3.341 NC(=N)NCCC[C@H](NCCC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N

IUPAC InChI

InChI=1S/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)/t6-/m0/s1

IUPAC InChI key

OHWCFZJEIHZWMN-LURJTMIESA-N
CMA

wwPDB Information

Atom count

35 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-07-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned