ZH2

4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

Created:	2010-12-06
Last modified:	2020-06-27

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2 entries where ZH2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	2
Bond Count	48
Aromatic Bond Count	12

2D diagram of ZH2

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Chemical Component Summary
Name	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
Systematic Name (OpenEye OEToolkits)	4-[4-(4-aminophenyl)buta-1,3-diynyl]-N-[(2S,3R)-3-oxidanyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
Formula	C₂₁ H₁₉ N₃ O₄
Molecular Weight	377.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(C(NC(C(O)C)C(=O)NO)=O)ccc(C#CC#Cc1ccc(cc1)N)c2
SMILES	CACTVS	3.385	C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO
SMILES	OpenEye OEToolkits	1.7.6	CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)NO
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O
InChI	InChI	1.03	InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1
InChIKey	InChI	1.03	SNVYDNOGPYZQEV-KUHUBIRLSA-N

Related Resource References

Resource Name	Reference
PubChem	49837878
ChEMBL	CHEMBL1643369

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