A1A8T

3-methyl-L-isovaline

Created:	2024-09-20
Last modified:	2025-04-30

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3 entries where A1A8T 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 A1A8T

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

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(C)C(C)(N)C(=O)O
SMILES	CACTVS	3.385	CC(C)[C](C)(N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(C)(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CC(C)[C@](C)(N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)[C@@](C)(C(=O)O)N
InChI	InChI	1.06	InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1
InChIKey	InChI	1.06	GPYTYOMSQHBYTK-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	7408715, 7408714

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