2JJ

5-phosphono-D-norvaline

Created:	2013-10-31
Last modified:	2014-03-12

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2 entries where 2JJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	0

2D diagram of 2JJ

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Chemical Component Summary
Name	5-phosphono-D-norvaline
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-5-phosphono-pentanoic acid
Formula	C₅ H₁₂ N O₅ P
Molecular Weight	197.126
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)CCCC(N)C(=O)O
SMILES	CACTVS	3.385	N[CH](CCC[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CC(C(=O)O)N)CP(=O)(O)O
Canonical SMILES	CACTVS	3.385	N[C@H](CCC[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(C[C@H](C(=O)O)N)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
InChIKey	InChI	1.03	VOROEQBFPPIACJ-SCSAIBSYSA-N

Related Resource References

Resource Name	Reference
PubChem	135342
ChEMBL	CHEMBL84612

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