English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

593

Summary

Name:	(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
Formula:	C20 H25 N3 O
Formal charge:	0
Formula weight:	323.432 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	11.02	(5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one
OpenEye OEToolkits	1.6.1	(5S)-5-(1-adamantyl)-2-azanyl-3-methyl-5-phenyl-imidazol-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C1N(C(=NC1(c2ccccc2)C53CC4CC(CC(C3)C4)C5)N)C
SMILES_CANONICAL	CACTVS	3.352	CN1C(=N[C@](C1=O)(c2ccccc2)[C]34CC5[CH2][CH](C[CH]([CH2]5)C3)C4)N
SMILES	CACTVS	3.352	CN1C(=N[C](C1=O)(c2ccccc2)[C]34CC5[CH2][CH](C[CH]([CH2]5)C3)C4)N
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4
SMILES	OpenEye OEToolkits	1.7.0	CN1C(=O)C(N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4
InChI	InChI	1.03	InChI=1S/C20H25N3O/c1-23-17(24)20(22-18(23)21,16-5-3-2-4-6-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h2-6,13-15H,7-12H2,1H3,(H2,21,22)/t13-,14+,15-,19-,20-/m0/s1
InChIKey	InChI	1.03	BEDDENNXVBITIQ-WYIOCLOVSA-N

222926

PDB entries from 2024-07-24

PDB statistics

PDBj update info

Contact PDBj

numon