Chemical Components in the PDB

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Z01 : Summary

Code

Z01

One-letter code

A

Molecule name

3-[(2,2-dimethylpropanoyl)amino]-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-[(2,2-dimethylpropanoyl)amino]-L-alanine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-3-(2,2-dimethylpropanoylamino)propanoic acid

Formula

C8 H16 N2 O3

Formal charge

0

Molecular weight

188.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NCC(N)C(=O)O)C(C)(C)C
SMILES CACTVS 3.370 CC(C)(C)C(=O)NC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C)(C)C(=O)NCC(C(=O)O)N
Canonical SMILES CACTVS 3.370 CC(C)(C)C(=O)NC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)(C)C(=O)NC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H16N2O3/c1-8(2,3)7(13)10-4-5(9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1

IUPAC InChI key

YGQJWXCFMYPOHQ-YFKPBYRVSA-N

Is part of

ZU3
Z01

wwPDB Information

Atom count

29 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2010-11-17

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned