KXZ

3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid

Created:	2016-12-14
Last modified:	2017-05-24

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1 entries where KXZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	12

2D diagram of KXZ

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Chemical Component Summary
Name	3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid
Formula	C₁₉ H₂₁ Cl N₂ O₃
Molecular Weight	360.835
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CC(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C19H21ClN2O3/c20-17-11-14(7-8-16(17)15-5-2-1-3-6-15)13-21-9-4-10-22-18(23)12-19(24)25/h1-3,5-8,11,21H,4,9-10,12-13H2,(H,22,23)(H,24,25)
InChIKey	InChI	1.03	LNPJVQJSMPETNE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126970797
ChEMBL	CHEMBL4104331

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.