2-ethoxy-3-[4-[2-[1-(3-ethyl-4-methyl-pentyl)sulfanylethylcarbamoylamino]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[1-(3-ethyl-4-methyl-pentyl)sulfanylethylcarbamoylamino]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[1-(3-ethyl-4-methyl-pentyl)sulfanylethylcarbamoylamino]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[[[1-[(3-ethyl-4-methylpentyl)thio]ethylamino]-oxomethyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[1-(3-ethyl-4-methylpentyl)sulfanylethylcarbamoylamino]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[1-[(3-ethyl-4-methyl-pentyl)thio]ethylcarbamoylamino]ethoxy]phenyl]propionic acid Formula: C24H40N2O5S MolecularWeight: 468.6498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCSC(C)NC(=O)NCCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(C)C

Isomeric SMILES

CCC(CCSC(C)NC(=O)NCCOC1=CC=C(C=C1)CC(C(=O)O)OCC)C(C)C

InChI

InChI=1S/C24H40N2O5S/c1-6-20(17(3)4)12-15-32-18(5)26-24(29)25-13-14-31-21-10-8-19(9-11-21)16-22(23(27)28)30-7-2/h8-11,17-18,20,22H,6-7,12-16H2,1-5H3,(H,27,28)(H2,25,26,29)