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Summary Geometry Related PDB entries

UOF

Summary

Name:	1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
Formula:	C18 H16 Cl2 N2 O3
Formal charge:	0
Formula weight:	379.237 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
OpenEye OEToolkits	2.0.7	(2~{R})-1-[[3,5-bis(chloranyl)-2-phenyl-phenyl]carbamoyl]pyrrolidine-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)C1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1c1ccccc1
InChI	InChI	1.06	InChI=1S/C18H16Cl2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1
InChIKey	InChI	1.06	WDPIFBOVEHBEDQ-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)[C@H]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@@H]3C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O

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