Chemical Components in the PDB

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04V : Summary

Code

04V

One-letter code

P

Molecule name

(2S)-pyrrolidine-2-carboximidic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-pyrrolidine-2-carboximidic acid
OpenEye OEToolkits 1.9.2 (2S)-pyrrolidine-2-carboximidic acid

Formula

C5 H10 N2 O

Formal charge

0

Molecular weight

114.146 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 [N@H]=C(O)C1NCCC1
SMILES CACTVS 3.385 OC(=N)[CH]1CCCN1
SMILES OpenEye OEToolkits 1.9.2 C1CC(NC1)C(=N)O
Canonical SMILES CACTVS 3.385 OC(=N)[C@@H]1CCCN1
Canonical SMILES OpenEye OEToolkits 1.9.2 [H]/N=C(/[C@@H]1CCCN1)\O

IUPAC InChI

InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1

IUPAC InChI key

VLJNHYLEOZPXFW-BYPYZUCNSA-N

Is part of

4I4
04V

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2012-10-02

Last modified at

2019-04-14

Status

Released

Obsoleted

Not Assigned