L2I

(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide

Created:	2023-08-15
Last modified:	2023-11-08

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1 entries where L2I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

2D diagram of L2I

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Chemical Component Summary
Name	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-4-(methylamino)-2-phenyl-~{N}-pyridin-3-yl-butanamide
Formula	C₁₆ H₁₉ N₃ O
Molecular Weight	269.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cccnc1)C(CCNC)c1ccccc1
SMILES	CACTVS	3.385	CNCC[CH](C(=O)Nc1cccnc1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CNCCC(c1ccccc1)C(=O)Nc2cccnc2
Canonical SMILES	CACTVS	3.385	CNCC[C@H](C(=O)Nc1cccnc1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNCC[C@@H](c1ccccc1)C(=O)Nc2cccnc2
InChI	InChI	1.06	InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1
InChIKey	InChI	1.06	AMGHFKIRDXLNJU-HNNXBMFYSA-N

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.