Chemical Components in the PDB

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62H : Summary

Code

62H

One-letter code

X

Molecule name

(2S)-3-amino-2-methylpropanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-3-amino-2-methylpropanoic acid
OpenEye OEToolkits 2.0.4 (2~{S})-3-azanyl-2-methyl-propanoic acid

Formula

C4 H9 N O2

Formal charge

0

Molecular weight

103.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCC(C(=O)O)C
SMILES CACTVS 3.385 C[CH](CN)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 CC(CN)C(=O)O
Canonical SMILES CACTVS 3.385 C[C@@H](CN)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@@H](CN)C(=O)O

IUPAC InChI

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

IUPAC InChI key

QCHPKSFMDHPSNR-VKHMYHEASA-N
62H

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-15

Last modified at

2016-02-19

Status

Released

Obsoleted

Not Assigned