Chemical Components in the PDB

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5VV : Summary

Code

5VV

One-letter code

N

Molecule name

N-carbamoyl-L-Asparagine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-4-azanyl-2-(carboxyamino)-4-oxidanylidene-butanoic acid

Formula

C5 H8 N2 O5

Formal charge

0

Molecular weight

176.127 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)C[CH](NC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(C(C(=O)O)NC(=O)O)C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)C[C@H](NC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H](C(=O)O)NC(=O)O)C(=O)N

IUPAC InChI

InChI=1S/C5H8N2O5/c6-3(8)1-2(4(9)10)7-5(11)12/h2,7H,1H2,(H2,6,8)(H,9,10)(H,11,12)/t2-/m0/s1

IUPAC InChI key

ZDDDMWAFNPCPER-REOHCLBHSA-N
5VV

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ASN

Defined at

2015-12-14

Last modified at

2024-06-28

Status

Released

Obsoleted

Not Assigned