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Summary Geometry Related PDB entries

FR6

Summary

Name:	1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE
Synonyms:	FR233623
Formula:	C19 H21 N3 O2
Formal charge:	0
Formula weight:	323.389 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide
OpenEye OEToolkits	1.5.0	1-[(3R,4S)-4-hydroxy-1-naphthalen-1-yl-pentan-3-yl]imidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ncn(c1)C(C(O)C)CCc3c2ccccc2ccc3)N
SMILES_CANONICAL	CACTVS	3.341	C[C@H](O)[C@@H](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O
SMILES	CACTVS	3.341	C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O
InChI	InChI	1.03	InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey	InChI	1.03	OODDZQQDDOVCFD-SCLBCKFNSA-N

218853

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