Chemical Components in the PDB

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0NC : Summary

Code

0NC

One-letter code

A

Molecule name

N-methyl-L-alaninamide

Systematic names

ProgramVersionName
ACDLabs 10.04 N-methyl-L-alaninamide
OpenEye OEToolkits 1.5.0 (2S)-2-amino-N-methyl-propanamide

Formula

C4 H10 N2 O

Formal charge

0

Molecular weight

102.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC)C(N)C
SMILES CACTVS 3.341 CNC(=O)[CH](C)N
SMILES OpenEye OEToolkits 1.5.0 CC(C(=O)NC)N
Canonical SMILES CACTVS 3.341 CNC(=O)[C@H](C)N
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](C(=O)NC)N

IUPAC InChI

InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1

IUPAC InChI key

CKQYFZPCICOPMQ-VKHMYHEASA-N
0NC

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide NH3 amino terminus

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2008-03-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned