Chemical Components in the PDB

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CLV : Summary

Code

CLV

One-letter code

AFG

Molecule name

{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 {(2S)-2-[(1S)-1-aminoethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid
OpenEye OEToolkits 1.5.0 2-[2-[(1S)-1-aminoethyl]-5-oxo-2H-imidazol-1-yl]ethanoic acid

Formula

C7 H11 N3 O3

Formal charge

0

Molecular weight

185.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C=NC(N1CC(=O)O)C(N)C
SMILES CACTVS 3.341 C[CH](N)[CH]1N=CC(=O)N1CC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C1N=CC(=O)N1CC(=O)O)N
Canonical SMILES CACTVS 3.341 C[C@H](N)[C@H]1N=CC(=O)N1CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](C1N=CC(=O)N1CC(=O)O)N

IUPAC InChI

InChI=1S/C7H11N3O3/c1-4(8)7-9-2-5(11)10(7)3-6(12)13/h2,4,7H,3,8H2,1H3,(H,12,13)/t4-,7-/m0/s1

IUPAC InChI key

BWZRMBUNAOJHOY-FFWSUHOLSA-N
CLV

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA PHE GLY

Defined at

2007-03-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned