PDB Chemical Component AA1

Ideal Model

Chemical Description

Name [1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID
Formula C8 H14 N2 O5
Formal charge 0
Molecular weight 218.207 g/mol
Component type NON-POLYMER

Chemical features

Atom count 29
Chiral atom count 0
Bond count 28
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid
Systematic name (OpenEye OEToolkits) 2-[amino-(4-ethoxy-4-oxo-butanoyl)amino]ethanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) CCOC(=O)CCC(=O)N(N)CC(O)=O
SMILES (CACTVS) CCOC(=O)CCC(=O)N(N)CC(O)=O
Stereo SMILES (OpenEye) CCOC(=O)CCC(=O)N(CC(=O)O)N
InChI descriptor InChI=1/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)/f/h12H
InChIKey descriptor HLIXWPZILNATCE-XWKXFZRBCN

Status Information

Last modified 2008-10-14
Created 2005-09-14
Release status REL
Model PDB code 2C1E
Processing site EBI