WB 3559 C

(2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-(13-methyltetradecanoyloxy)pentadecanoyl]amino]acetyl]amino]propanoic acid

Also Known As: WB 3559 C|Antibiotic WB-3559C|WB-3559C|WB-3559 C|L-Serine, N-(N-(14-methyl-3-((13-methyl-1-oxotetradecyl)oxy)-1-oxopentadecyl)glycyl)-, (R)-|(2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-(13-methyltetradecanoyloxy)pentadecanoyl]amino]acetyl]amino]propanoic acid|(+)-N-[(3R)-14-Methyl-3-[(13-methyl-1-oxotetradecyl)oxy]-1-oxopentadecyl]Gly-L-Ser-OH|(2S)-3-hydroxy-2-{2-[(3R)-14-methyl-3-[(13-methyltetradecanoyl)oxy]pentadecanamido]acetamido}propanoic acid|N-[1-Hydroxy-2-({(3R)-1-hydroxy-14-methyl-3-[(13-methyltetradecanoyl)oxy]pentadecylidene}amino)ethylidene]-L-serine|N-[1-Hydroxy-2-({1-hydroxy-14-methyl-3-[(13-methyltetradecanoyl)oxy]pentadecylidene}amino)ethylidene]serine

Molecular Formula	C36H68N2O7
Molecular Weight	640.5026 g/mol
LogP	10.6
Topological Polar Surface Area	142.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	32
Exact Mass	640.5026
Monoisotopic Mass	640.5026
Heavy Atoms	45
Complexity	773.0

Chemical Identifiers

CAS Number	96095-05-5
SMILES	CC(C)CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC(C)C)CC(=O)NCC(=O)N[C@@H](CO)C(=O)O
InChIKey	SGQHHKMEFFGXAS-ZWXJPIIXSA-N