PPN

PARA-NITROPHENYLALANINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where PPN is covalently linked to polymer or other heterogen groups 17 entries where PPN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	6

2D diagram of PPN

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Chemical Component Summary
Name	PARA-NITROPHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(4-nitrophenyl)propanoic acid
Formula	C₉ H₁₀ N₂ O₄
Molecular Weight	210.187
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O
SMILES	CACTVS	3.341	N[CH](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey	InChI	1.03	GTVVZTAFGPQSPC-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	13706, 6920554

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