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HIX : Summary

Code

HIX

One-letter code

A

Molecule name

3-(1H-1,2,3-triazol-5-yl)-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(1H-1,2,3-triazol-5-yl)-L-alanine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-(1H-1,2,3-triazol-5-yl)propanoic acid

Formula

C5 H8 N4 O2

Formal charge

0

Molecular weight

156.143 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(C(O)=O)Cc1nnnc1
SMILES CACTVS 3.385 N[CH](Cc1[nH]nnc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1c([nH]nn1)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](Cc1[nH]nnc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c([nH]nn1)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1

IUPAC InChI key

YCHNJQXUYMPHNB-BYPYZUCNSA-N
HIX

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2015-05-26

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned