LM5

(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide

Created:	2013-03-22
Last modified:	2014-01-22

Find Related PDB Entry
2 entries where LM5 is found as a standalone ligand

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	36
Chiral Atom Count	4
Bond Count	37
Aromatic Bond Count	6

2D diagram of LM5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5S)-5-methyl-3,4-bis(oxidanyl)-N-(phenylmethyl)pyrrolidine-2-carboxamide
Formula	C₁₃ H₁₈ N₂ O₃
Molecular Weight	250.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1ccccc1)C2NC(C)C(O)C2O
SMILES	CACTVS	3.370	C[CH]1N[CH]([CH](O)[CH]1O)C(=O)NCc2ccccc2
SMILES	OpenEye OEToolkits	1.7.6	CC1C(C(C(N1)C(=O)NCc2ccccc2)O)O
Canonical SMILES	CACTVS	3.370	C[C@@H]1N[C@H]([C@H](O)[C@@H]1O)C(=O)NCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc2ccccc2)O)O
InChI	InChI	1.03	InChI=1S/C13H18N2O3/c1-8-11(16)12(17)10(15-8)13(18)14-7-9-5-3-2-4-6-9/h2-6,8,10-12,15-17H,7H2,1H3,(H,14,18)/t8-,10+,11+,12-/m0/s1
InChIKey	InChI	1.03	RJAKCSBNEIOVPB-GMNPVEAJSA-N

Related Resource References

Resource Name	Reference
PubChem	72706083

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.