DNW

3-[(2,4-dinitrophenyl)amino]-L-alanine

Created:	2013-05-07
Last modified:	2024-09-27

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2 entries where DNW is found in a polymer sequence

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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 DNW

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Chemical Component Summary
Name	3-[(2,4-dinitrophenyl)amino]-L-alanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-[(2,4-dinitrophenyl)amino]propanoic acid
Formula	C₉ H₁₀ N₄ O₆
Molecular Weight	270.199
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
SMILES	CACTVS	3.370	N[CH](CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H10N4O6/c10-6(9(14)15)4-11-7-2-1-5(12(16)17)3-8(7)13(18)19/h1-3,6,11H,4,10H2,(H,14,15)/t6-/m0/s1
InChIKey	InChI	1.03	SWXVRWMORDWCRN-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	87950766

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