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Summary Geometry Related PDB entries

6UY

Summary

Name:	[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate
Formula:	C19 H15 F N4 O3
Formal charge:	0
Formula weight:	366.346 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	[(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H15FN4O3/c20-13-6-8-14(9-7-13)24-18(25)16(12-4-2-1-3-5-12)27-19(26)15-17(21)23-11-10-22-15/h1-11,16H,(H2,21,23)(H,24,25)/t16-/m1/s1
InChIKey	InChI	1.03	PCBMXBZZXJYVCE-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1nccnc1C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c3ccccc3
SMILES	CACTVS	3.385	Nc1nccnc1C(=O)O[CH](C(=O)Nc2ccc(F)cc2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)C(C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N

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PDB entries from 2024-07-31

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