4TY

tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate

Created:	2015-05-27
Last modified:	2016-03-30

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1 entries where 4TY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of 4TY

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Chemical Component Summary
Name	tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Systematic Name (OpenEye OEToolkits)	tert-butyl N-[(1R)-1-(4-bromophenyl)-2-(oxidanylamino)-2-oxidanylidene-ethyl]carbamate
Formula	C₁₃ H₁₇ Br N₂ O₄
Molecular Weight	345.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(cc1)Br)C(C(NO)=O)NC(=O)OC(C)(C)C
SMILES	CACTVS	3.385	CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(Br)cc1
SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)OC(=O)NC(c1ccc(cc1)Br)C(=O)NO
Canonical SMILES	CACTVS	3.385	CC(C)(C)OC(=O)N[C@@H](C(=O)NO)c1ccc(Br)cc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)OC(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO
InChI	InChI	1.03	InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKey	InChI	1.03	PTGPKEUQHUZVQH-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	118797861

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