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Summary Geometry Related PDB entries

A1L20

Summary

Name:	(2~{R})-2-[3,5-bis(fluoranyl)phenyl]-2-[2-chloranylethanoyl(cyclopropyl)amino]-~{N}-cyclopentyl-ethanamide
Formula:	C18 H21 Cl F2 N2 O2
Formal charge:	0
Formula weight:	370.821 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{R})-2-[3,5-bis(fluoranyl)phenyl]-2-[2-chloranylethanoyl(cyclopropyl)amino]-~{N}-cyclopentyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H21ClF2N2O2/c19-10-16(24)23(15-5-6-15)17(11-7-12(20)9-13(21)8-11)18(25)22-14-3-1-2-4-14/h7-9,14-15,17H,1-6,10H2,(H,22,25)/t17-/m1/s1
InChIKey	InChI	1.06	QCBHBBUSQYJKAT-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cc(F)cc(c1)[C@@H](N(C2CC2)C(=O)CCl)C(=O)NC3CCCC3
SMILES	CACTVS	3.385	Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)CCl)C(=O)NC3CCCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(cc(cc1F)F)[C@H](C(=O)NC2CCCC2)N(C3CC3)C(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(cc1F)F)C(C(=O)NC2CCCC2)N(C3CC3)C(=O)CCl

250359

PDB entries from 2026-03-11

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