VME

METHYL L-VALINATE

Created:	2006-11-11
Last modified:	2024-09-27

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5 entries where VME is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of VME

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Chemical Component Summary
Name	METHYL L-VALINATE
Synonyms	O-METHYLVALINE
Systematic Name (OpenEye OEToolkits)	methyl (2S)-2-azanyl-3-methyl-butanoate
Formula	C₆ H₁₃ N O₂
Molecular Weight	131.173
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC)C(N)C(C)C
SMILES	CACTVS	3.370	COC(=O)[CH](N)C(C)C
SMILES	OpenEye OEToolkits	1.7.0	CC(C)C(C(=O)OC)N
Canonical SMILES	CACTVS	3.370	COC(=O)[C@@H](N)C(C)C
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)[C@@H](C(=O)OC)N
InChI	InChI	1.03	InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
InChIKey	InChI	1.03	CEMZBWPSKYISTN-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	94285
ChEMBL	CHEMBL1209949
CCDC/CSD	WAPQOV, WAPQIP

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.