LE1

3-sulfanyl-L-valine

Created:	2009-05-15
Last modified:	2024-09-27

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14 entries where LE1 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

2D diagram of LE1

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Chemical Component Summary
Name	3-sulfanyl-L-valine
Synonyms	L-LE1ICILLAMINE; L-Penicillamine
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-methyl-3-sulfanyl-butanoic acid
Formula	C₅ H₁₁ N O₂ S
Molecular Weight	149.211
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C(S)(C)C
SMILES	CACTVS	3.341	CC(C)(S)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C(C(=O)O)N)S
Canonical SMILES	CACTVS	3.341	CC(C)(S)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)([C@@H](C(=O)O)N)S
InChI	InChI	1.03	InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChIKey	InChI	1.03	VVNCNSJFMMFHPL-GSVOUGTGSA-N

Related Resource References

Resource Name	Reference
PubChem	92863, 6926436
ChEMBL	CHEMBL207222
ChEBI	CHEBI:50869

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