VLM

VALINYLAMINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of VLM

Chemical Component Summary

NameVALINYLAMINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-methyl-butanamide
FormulaC5 H12 N2 O
Molecular Weight116.162
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(N)C(N)C(C)C
SMILESCACTVS3.385CC(C)[CH](N)C(N)=O
SMILESOpenEye OEToolkits1.7.5CC(C)C(C(=O)N)N
Canonical SMILESCACTVS3.385 CC(C)[C@H](N)C(N)=O
Canonical SMILESOpenEye OEToolkits1.7.5 CC(C)[C@@H](C(=O)N)N
InChIInChI1.03 InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1
InChIKeyInChI1.03 XDEHMKQLKPZERH-BYPYZUCNSA-N

Related Resource References

Resource NameReference
PubChem 445637
ChEMBL CHEMBL1229079
CCDC/CSD GUKMOO