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

Systemtic Name: 4-[4-azanyl-2-(11-phosphonoundecanoylamino)thiophen-3-yl]oxybutanoic acid Openeye Name: 4-[[4-amino-2-(11-phosphonoundecanoylamino)-3-thienyl]oxy]butanoic acid CAS Name: 4-[[4-amino-2-[(1-oxo-11-phosphonoundecyl)amino]-3-thiophenyl]oxy]butanoic acid IUPAC Name: 4-[4-amino-2-(11-phosphonoundecanoylamino)thiophen-3-yl]oxybutanoic acid Traditional Name: 4-[[4-amino-2-(11-phosphonoundecanoylamino)-3-thienyl]oxy]butyric acid Formula: C19H33N2O7PS MolecularWeight: 464.513281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(S1)NC(=O)CCCCCCCCCCP(=O)(O)O)OCCCC(=O)O)N

Isomeric SMILES

C1=C(C(=C(S1)NC(=O)CCCCCCCCCCP(=O)(O)O)OCCCC(=O)O)N

InChI

InChI=1S/C19H33N2O7PS/c20-15-14-30-19(18(15)28-12-9-11-17(23)24)21-16(22)10-7-5-3-1-2-4-6-8-13-29(25,26)27/h14H,1-13,20H2,(H,21,22)(H,23,24)(H2,25,26,27)