2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylamino]-3-mercapto-propionic acid Formula: C18H27NO5S MolecularWeight: 369.47568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCNC(CS)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCNC(CS)C(=O)O

InChI

InChI=1S/C18H27NO5S/c1-3-6-14-16(8-7-13(12(2)20)17(14)21)24-10-5-4-9-19-15(11-25)18(22)23/h7-8,15,19,21,25H,3-6,9-11H2,1-2H3,(H,22,23)