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Summary Geometry Related PDB entries

LPF

Summary

Name:	1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
Formula:	C18 H23 F3 N2 O3
Formal charge:	0
Formula weight:	372.382 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N~2~-acetyl-N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]-L-leucinamide
OpenEye OEToolkits	1.5.0	(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenyl-butan-2-yl]pentanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)C(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1
SMILES_CANONICAL	CACTVS	3.341	CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F
SMILES	CACTVS	3.341	CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C(=O)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)NC(=O)C
InChI	InChI	1.03	InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1
InChIKey	InChI	1.03	MZNXJCZDQRNGRC-GJZGRUSLSA-N

246704

PDB entries from 2025-12-24

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