Chemical Components in the PDB

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1MH : Summary

Code

1MH

One-letter code

X

Molecule name

3-pyridin-3-yl-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-pyridin-3-yl-L-alanine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-pyridin-3-yl-propanoic acid

Formula

C8 H10 N2 O2

Formal charge

0

Molecular weight

166.177 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc1cccnc1
SMILES CACTVS 3.370 N[CH](Cc1cccnc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1cccnc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1

IUPAC InChI key

DFZVZEMNPGABKO-ZETCQYMHSA-N
1MH

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-28

Last modified at

2013-06-07

Status

Released

Obsoleted

Not Assigned