RZB

(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Created:	2020-11-04
Last modified:	2021-02-17

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1 entries where RZB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	17

2D diagram of RZB

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Chemical Component Summary
Name	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Systematic Name (OpenEye OEToolkits)	(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
Molecular Weight	373.794
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.385	N[C@@H](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nnn(n2)C[C@@H](CC(=O)O)N)Oc3ccc(cc3)Cl
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

Related Resource References

Resource Name	Reference
PubChem	118191832

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