PCV

5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID

Created:	2000-01-21
Last modified:	2021-03-01

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1 entries where PCV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	2
Bond Count	28
Aromatic Bond Count	0

2D diagram of PCV

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Chemical Component Summary
Name	5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID
Synonyms	PROCLAVAMINIC ACID
Systematic Name (OpenEye OEToolkits)	(2S,3R)-5-amino-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid
Formula	C₈ H₁₄ N₂ O₄
Molecular Weight	202.208
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N(C(C(=O)O)C(O)CCN)CC1
SMILES	CACTVS	3.341	NCC[CH](O)[CH](N1CCC1=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1CN(C1=O)C(C(CCN)O)C(=O)O
Canonical SMILES	CACTVS	3.341	NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1
InChIKey	InChI	1.03	NMCINKPVAOXDJH-VDTYLAMSSA-N

Related Resource References

Resource Name	Reference
PubChem	194953, 25203549
ChEBI	CHEBI:15425, CHEBI:57302

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.