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Summary Geometry Related PDB entries

RZE

Summary

Name:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C16 H14 Cl F N6 O3
Formal charge:	0
Formula weight:	392.772 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
InChIKey	InChI	1.03	ZEGMEJVULDALSH-NSHDSACASA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@H](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O
SMILES	CACTVS	3.385	N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(cc(cn3)Cl)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3c(cc(cn3)Cl)F

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