Chemical Components in the PDB

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SUG : Summary

Code

SUG

One-letter code

X

Molecule name

N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE

Synonyms

N~2~-SUCCINYLARGININE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-(3-carboxypropanoyl)-L-arginine
OpenEye OEToolkits 1.5.0 (2S)-5-carbamimidamido-2-[(4-hydroxy-4-oxo-butanoyl)amino]pentanoic acid

Formula

C10 H18 N4 O5

Formal charge

0

Molecular weight

274.274 Da

SMILES

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

IUPAC InChI

InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1

IUPAC InChI key

UMOXFSXIFQOWTD-LURJTMIESA-N
SUG

wwPDB Information

Atom count

37 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned