4SY

tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate

Created:	2015-05-21
Last modified:	2016-03-30

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1 entries where 4SY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	11

2D diagram of 4SY

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Chemical Component Summary
Name	tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
Systematic Name (OpenEye OEToolkits)	tert-butyl N-[(1S)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-(oxidanylamino)-2-oxidanylidene-ethyl]carbamate
Formula	C₁₇ H₂₂ N₄ O₄
Molecular Weight	346.381
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(cc1)c2cnn(c2)C)C(NC(OC(C)(C)C)=O)C(=O)NO
SMILES	CACTVS	3.385	Cn1cc(cn1)c2ccc(cc2)[CH](NC(=O)OC(C)(C)C)C(=O)NO
SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)OC(=O)NC(c1ccc(cc1)c2cnn(c2)C)C(=O)NO
Canonical SMILES	CACTVS	3.385	Cn1cc(cn1)c2ccc(cc2)[C@H](NC(=O)OC(C)(C)C)C(=O)NO
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO
InChI	InChI	1.03	InChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKey	InChI	1.03	SASAIIBKYJIJKV-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	118797854

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