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Summary Geometry Related PDB entries

LLZ

Summary

Name:	N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine
Formula:	C21 H28 N2 O4
Formal charge:	0
Formula weight:	372.458 Da
Component type:	L-peptide linking

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~6~-[(2S)-4-(6-methoxynaphthalen-2-yl)-4-oxobutan-2-yl]-L-lysine
OpenEye OEToolkits	1.7.0	(2S)-2-azanyl-6-[[(2S)-4-(6-methoxynaphthalen-2-yl)-4-oxo-butan-2-yl]amino]hexanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1)ccc(OC)c2
SMILES_CANONICAL	CACTVS	3.370	COc1ccc2cc(ccc2c1)C(=O)C[C@H](C)NCCCC[C@H](N)C(O)=O
SMILES	CACTVS	3.370	COc1ccc2cc(ccc2c1)C(=O)C[CH](C)NCCCC[CH](N)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	C[C@@H](CC(=O)c1ccc2cc(ccc2c1)OC)NCCCC[C@@H](C(=O)O)N
SMILES	OpenEye OEToolkits	1.7.0	CC(CC(=O)c1ccc2cc(ccc2c1)OC)NCCCCC(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C21H28N2O4/c1-14(23-10-4-3-5-19(22)21(25)26)11-20(24)17-7-6-16-13-18(27-2)9-8-15(16)12-17/h6-9,12-14,19,23H,3-5,10-11,22H2,1-2H3,(H,25,26)/t14-,19-/m0/s1
InChIKey	InChI	1.03	ITVGWHAQSRRMIM-LIRRHRJNSA-N

224931

PDB entries from 2024-09-11

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