A1LWM

(4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one

Created:	2024-01-16
Last modified:	2024-11-06

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2 entries where A1LWM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	77
Chiral Atom Count	1
Bond Count	78
Aromatic Bond Count	6

2D diagram of A1LWM

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Chemical Component Summary
Name	(4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one
Systematic Name (OpenEye OEToolkits)	4-methyl-5-phenyl-3-[(2~{R},3~{S},4~{S},6~{E},10~{E})-2,6,10-triethyl-4-methyl-3-oxidanyl-dodeca-6,10-dienoyl]-1,3-oxazolidin-2-one
Formula	C₂₉ H₄₃ N O₄
Molecular Weight	469.656
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(C(O)[CH](C)CC(CC)=CCCC(CC)=CC)C(=O)N1C(C)C(OC1=O)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CCC(C(C(C)CC(=CCCC(=CC)CC)CC)O)C(=O)N1C(C(OC1=O)c2ccccc2)C
Canonical SMILES	CACTVS	3.385	CCC(C(O)[C@@H](C)C\C(CC)=C\CC/C(CC)=C/C)C(=O)N1C(C)C(OC1=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@H]([C@H]([C@@H](C)C/C(=C/CC/C(=C/C)/CC)/CC)O)C(=O)N1C(C(OC1=O)c2ccccc2)C
InChI	InChI	1.06	InChI=1S/C29H43NO4/c1-7-22(8-2)15-14-16-23(9-3)19-20(5)26(31)25(10-4)28(32)30-21(6)27(34-29(30)33)24-17-12-11-13-18-24/h7,11-13,16-18,20-21,25-27,31H,8-10,14-15,19H2,1-6H3/b22-7+,23-16+/t20-,21?,25?,26?,27?/m0/s1
InChIKey	InChI	1.06	GIEHXLSOYWFSMM-FYYHNBHTSA-N

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.