4-[4-methyl-2-(11-phosphonoundecanoylamino)thiophen-3-yl]oxybutanoic acid

Systemtic Name: 4-[4-methyl-2-(11-phosphonoundecanoylamino)thiophen-3-yl]oxybutanoic acid Openeye Name: 4-[[4-methyl-2-(11-phosphonoundecanoylamino)-3-thienyl]oxy]butanoic acid CAS Name: 4-[[4-methyl-2-[(1-oxo-11-phosphonoundecyl)amino]-3-thiophenyl]oxy]butanoic acid IUPAC Name: 4-[4-methyl-2-(11-phosphonoundecanoylamino)thiophen-3-yl]oxybutanoic acid Traditional Name: 4-[[4-methyl-2-(11-phosphonoundecanoylamino)-3-thienyl]oxy]butyric acid Formula: C20H34NO7PS MolecularWeight: 463.525221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCP(=O)(O)O

Isomeric SMILES

CC1=CSC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C20H34NO7PS/c1-16-15-30-20(19(16)28-13-10-12-18(23)24)21-17(22)11-8-6-4-2-3-5-7-9-14-29(25,26)27/h15H,2-14H2,1H3,(H,21,22)(H,23,24)(H2,25,26,27)