LVY

S-Lenalidomide

Created:	2013-12-05
Last modified:	2014-09-05

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5 entries where LVY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

2D diagram of LVY

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Chemical Component Summary
Name	S-Lenalidomide
Systematic Name (OpenEye OEToolkits)	(3S)-3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione
Formula	C₁₃ H₁₃ N₃ O₃
Molecular Weight	259.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N
SMILES	CACTVS	3.385	Nc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	Nc1cccc2C(=O)N(Cc12)[C@H]3CCC(=O)NC3=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O
InChI	InChI	1.03	InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1
InChIKey	InChI	1.03	GOTYRUGSSMKFNF-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	12044976
CCDC/CSD	AJISIW, AJISES, AJISES01, HUVGAI, XODPOX, ICOTEC, XODPEN, ICOSUR, HUVFUB, XODPIR, ICOTIG, ICOTOM
COD	2017359, 2017358, 4516374, 4510816, 4510815, 4516373, 4510817

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.