PRV

(2R)-amino(2-nitrophenyl)ethanoic acid

Created:	2010-02-02
Last modified:	2024-09-27

Find Related PDB Entry
4 entries where PRV is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of PRV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-amino(2-nitrophenyl)ethanoic acid
Synonyms	2-(NITRO)PHENYLGLYCINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-2-(2-nitrophenyl)ethanoic acid
Formula	C₈ H₈ N₂ O₄
Molecular Weight	196.16
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c1ccccc1C(N)C(=O)O
SMILES	CACTVS	3.352	N[CH](C(O)=O)c1ccccc1[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(c(c1)C(C(=O)O)N)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.352	N[C@@H](C(O)=O)c1ccccc1[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(c(c1)[C@H](C(=O)O)N)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1
InChIKey	InChI	1.03	CEBXNGWSHWJBHX-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	34176625, 34176626

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.