PR4

1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline

Created:	2010-04-02
Last modified:	2024-09-27

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2 entries where PR4 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	2
Bond Count	27
Aromatic Bond Count	0

2D diagram of PR4

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Chemical Component Summary
Name	1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
Systematic Name (OpenEye OEToolkits)	(1S,2S)-1-[(2R)-2,3-dihydroxy-3-oxo-propyl]pyrrolidine-2-carboxylic acid
Formula	C₈ H₁₃ N O₅
Molecular Weight	203.193
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(O)CN1C(C(=O)O)CCC1
SMILES	CACTVS	3.370	O[CH](CN1CCC[CH]1C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C1CC(N(C1)CC(C(=O)O)O)C(=O)O
Canonical SMILES	CACTVS	3.370	O[C@H](CN1CCC[C@H]1C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6+/m0/s1
InChIKey	InChI	1.03	VWTJOUUXTYKUIB-NTSWFWBYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867525

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