ZYM

2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid

Created:	2010-10-21
Last modified:	2011-06-04

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1 entries where ZYM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

2D diagram of ZYM

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Chemical Component Summary
Name	2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid
Systematic Name (OpenEye OEToolkits)	2,4-dioxo-4-[3-(3-phenoxyphenyl)propylamino]butanoic acid
Formula	C₁₉ H₁₉ N O₅
Molecular Weight	341.358
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1)ccc2
SMILES	CACTVS	3.370	OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccccc2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C19H19NO5/c21-17(19(23)24)13-18(22)20-11-5-7-14-6-4-10-16(12-14)25-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,20,22)(H,23,24)
InChIKey	InChI	1.03	SJGQLSMZNBWNEL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72200935

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