Chemical Components in the PDB

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ZSN : Summary

Code

ZSN

One-letter code

X

Molecule name

1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

Synonyms

Aza-asparagine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
OpenEye OEToolkits 1.9.2 azanyl-(2-azanyl-2-oxidanylidene-ethyl)carbamic acid

Formula

C3 H7 N3 O3

Formal charge

0

Molecular weight

133.106 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)CN(N)C(=O)O
SMILES CACTVS 3.385 NN(CC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.9.2 C(C(=O)N)N(C(=O)O)N
Canonical SMILES CACTVS 3.385 NN(CC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 C(C(=O)N)N(C(=O)O)N

IUPAC InChI

InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)

IUPAC InChI key

AYJPQGDWEDBSTK-UHFFFAOYSA-N
ZSN

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-06-01

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned