TBG

3-methyl-L-valine

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

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22 entries where TBG 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 TBG

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Chemical Component Summary
Name	3-methyl-L-valine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3,3-dimethyl-butanoic acid
Formula	C₆ H₁₃ N O₂
Molecular Weight	131.173
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)C(C)(C)C
SMILES	CACTVS	3.370	CC(C)(C)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(C)(C)C(C(=O)O)N
Canonical SMILES	CACTVS	3.370	CC(C)(C)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)(C)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1
InChIKey	InChI	1.03	NPDBDJFLKKQMCM-SCSAIBSYSA-N

Related Resource References

Resource Name	Reference
PubChem	6933344, 164608
CCDC/CSD	SIMPUZ

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