4TM

N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide

Created:	2015-05-22
Last modified:	2016-03-30

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2 entries where 4TM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	11

2D diagram of 4TM

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Chemical Component Summary
Name	N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
Systematic Name (OpenEye OEToolkits)	2,2-dimethyl-N-[(1R)-2-(oxidanylamino)-2-oxidanylidene-1-(4-thiophen-3-ylphenyl)ethyl]propanamide
Formula	C₁₇ H₂₀ N₂ O₃ S
Molecular Weight	332.417
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)(C(NC(c1ccc(cc1)c2ccsc2)C(=O)NO)=O)C
SMILES	CACTVS	3.385	CC(C)(C)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cscc2
SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)C(=O)NC(c1ccc(cc1)c2ccsc2)C(=O)NO
Canonical SMILES	CACTVS	3.385	CC(C)(C)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2cscc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO
InChI	InChI	1.03	InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKey	InChI	1.03	MHNLFRWKFJGARR-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	118797859

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