LKV

(2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid

Created:	2022-07-06
Last modified:	2023-04-26

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1 entries where LKV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	2
Bond Count	43
Aromatic Bond Count	6

2D diagram of LKV

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Chemical Component Summary
Name	(2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid
Formula	C₁₆ H₂₀ N₂ O₄
Molecular Weight	304.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)[CH](N1Cc2ccccc2C1=O)C(=O)N[CH](C)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(C(=O)NC(C)C(=O)O)N1Cc2ccccc2C1=O
Canonical SMILES	CACTVS	3.385	CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N[C@@H](C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O
InChI	InChI	1.06	InChI=1S/C16H20N2O4/c1-9(2)13(14(19)17-10(3)16(21)22)18-8-11-6-4-5-7-12(11)15(18)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,19)(H,21,22)/t10-,13-/m0/s1
InChIKey	InChI	1.06	ZLJCDMXBPPBVSF-GWCFXTLKSA-N

Related Resource References

Resource Name	Reference
PubChem	132352592

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.