NZ2

N-(methylsulfonyl)-N-phenyl-L-alanine

Created:	2013-06-05
Last modified:	2014-05-21

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1 entries where NZ2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	6

2D diagram of NZ2

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Chemical Component Summary
Name	N-(methylsulfonyl)-N-phenyl-L-alanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-[methylsulfonyl(phenyl)amino]propanoic acid
Formula	C₁₀ H₁₃ N O₄ S
Molecular Weight	243.28
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C
SMILES	CACTVS	3.370	C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(C(=O)O)N(c1ccccc1)S(=O)(=O)C
Canonical SMILES	CACTVS	3.370	C[C@H](N(c1ccccc1)[S](C)(=O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C
InChI	InChI	1.03	InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1
InChIKey	InChI	1.03	RIWCJTAAIOCFTR-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	40554647

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