4-[2-(17-propan-2-ylsulfanylheptadecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(17-propan-2-ylsulfanylheptadecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(17-isopropylsulfanylheptadecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[1-oxo-17-(propan-2-ylthio)heptadecyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(17-propan-2-ylsulfanylheptadecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[17-(isopropylthio)heptadecanoylamino]phenoxy]butyric acid Formula: C30H51NO4S MolecularWeight: 521.79524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C30H51NO4S/c1-26(2)36-25-18-14-12-10-8-6-4-3-5-7-9-11-13-15-22-29(32)31-27-20-16-17-21-28(27)35-24-19-23-30(33)34/h16-17,20-21,26H,3-15,18-19,22-25H2,1-2H3,(H,31,32)(H,33,34)