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Summary Geometry Related PDB entries

0KM

Summary

Name:	(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
Formula:	C23 H21 N3 O2
Formal charge:	0
Formula weight:	371.432 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one
OpenEye OEToolkits	1.7.6	(5R)-2-azanylidene-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenyl-imidazolidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3N(C(=[N@H])NC3(c2cc(c1cccc(OC)c1)ccc2)c4ccccc4)C
InChI	InChI	1.03	InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)/t23-/m1/s1
InChIKey	InChI	1.03	LRYKHTDVFXMHEH-HSZRJFAPSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1cccc(c1)c2cccc(c2)[C@]3(NC(=N)N(C)C3=O)c4ccccc4
SMILES	CACTVS	3.370	COc1cccc(c1)c2cccc(c2)[C]3(NC(=N)N(C)C3=O)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	[H]/N=C/1\N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC
SMILES	OpenEye OEToolkits	1.7.6	CN1C(=O)C(NC1=N)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC

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