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Summary Geometry Related PDB entries

O8L

Summary

Name:	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C18 H18 Cl N3 O3
Formal charge:	0
Formula weight:	359.807 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
OpenEye OEToolkits	2.0.7	(2~{S})-2-[3-chloranyl-5-[(2~{R})-4-oxidanylideneazetidin-2-yl]oxy-phenyl]-~{N}-(4-methylpyridin-3-yl)propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N2)c1
InChI	InChI	1.06	InChI=1S/C18H18ClN3O3/c1-10-3-4-20-9-15(10)21-18(24)11(2)12-5-13(19)7-14(6-12)25-17-8-16(23)22-17/h3-7,9,11,17H,8H2,1-2H3,(H,21,24)(H,22,23)/t11-,17+/m0/s1
InChIKey	InChI	1.06	NGODSAZXSLLARZ-APPDUMDISA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H](C(=O)Nc1cnccc1C)c2cc(Cl)cc(O[C@@H]3CC(=O)N3)c2
SMILES	CACTVS	3.385	C[CH](C(=O)Nc1cnccc1C)c2cc(Cl)cc(O[CH]3CC(=O)N3)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@@H](C)c2cc(cc(c2)Cl)O[C@@H]3CC(=O)N3
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C(C)c2cc(cc(c2)Cl)OC3CC(=O)N3

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