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Summary

Name:	(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Formula:	C23 H22 N6 O
Formal charge:	0
Formula weight:	398.46 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
OpenEye OEToolkits	2.0.7	(2~{S})-2-ethyl-4-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCC1CN(Cc2ccc(cc2)c2ccccc2c2nnn[NH]2)c2ncccc2O1
InChI	InChI	1.06	InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1
InChIKey	InChI	1.06	FPJQYVJROWEOEU-SFHVURJKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC[C@H]1CN(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)c5ncccc5O1
SMILES	CACTVS	3.385	CC[CH]1CN(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)c5ncccc5O1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC[C@H]1CN(c2c(cccn2)O1)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5
SMILES	OpenEye OEToolkits	2.0.7	CCC1CN(c2c(cccn2)O1)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5

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