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Summary Geometry Related PDB entries

FRC

Summary

Name:	1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE
Synonyms:	FR247581
Formula:	C19 H21 N3 O3
Formal charge:	0
Formula weight:	339.388 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	3-(4-carbamoyl-1H-imidazol-1-yl)-1,3,4-trideoxy-5-O-naphthalen-2-yl-D-erythro-pentitol
OpenEye OEToolkits	1.5.0	1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxy-pentan-3-yl]imidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ncn(c1)C(C(O)C)CCOc3cc2ccccc2cc3)N
SMILES_CANONICAL	CACTVS	3.341	C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O
SMILES	CACTVS	3.341	C[CH](O)[CH](CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
InChI	InChI	1.03	InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey	InChI	1.03	UYAJDVNLQJVRHD-SCLBCKFNSA-N

218853

PDB entries from 2024-04-24

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