UOF

1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline

Created:	2023-05-09
Last modified:	2023-06-14

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2 entries where UOF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	12

2D diagram of UOF

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Chemical Component Summary
Name	1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
Systematic Name (OpenEye OEToolkits)	(2~{R})-1-[[3,5-bis(chloranyl)-2-phenyl-phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
Formula	C₁₈ H₁₆ Cl₂ N₂ O₃
Molecular Weight	379.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)C1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1c1ccccc1
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@H]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@@H]3C(=O)O
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

Related Resource References

Resource Name	Reference
PubChem	86287798

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