L53

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

Created:	2010-12-06
Last modified:	2011-06-04

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1 entries where L53 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	46
Aromatic Bond Count	12

2D diagram of L53

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Chemical Component Summary
Name	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
Systematic Name (OpenEye OEToolkits)	4-[4-(4-aminophenyl)buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxo-butan-2-yl]benzamide
Formula	C₂₁ H₁₇ N₃ O₄
Molecular Weight	375.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1ccc(N)cc1)cc2)C(O)C
SMILES	CACTVS	3.370	C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O
SMILES	OpenEye OEToolkits	1.7.0	CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O
Canonical SMILES	CACTVS	3.370	C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O
InChI	InChI	1.03	InChI=1S/C21H17N3O4/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/h6-14,19,25H,22H2,1H3,(H,23,26)/t14-,19-/m0/s1
InChIKey	InChI	1.03	DRMPSCRMGWDCMO-LIRRHRJNSA-N

Related Resource References

Resource Name	Reference
PubChem	52946515

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