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Summary Geometry Related PDB entries

RZB

Summary

Name:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C17 H16 Cl N5 O3
Formal charge:	0
Formula weight:	373.794 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1
InChIKey	InChI	1.03	VSQILWJHLPJYGP-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@@H](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
SMILES	CACTVS	3.385	N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3ccc(cc3)Cl

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