3-[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C22H28FNO3S MolecularWeight: 405.526023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)CSCCC(=O)O

InChI

InChI=1S/C22H28FNO3S/c23-19-3-1-15(2-4-19)13-24(20(25)14-28-6-5-21(26)27)22-10-16-7-17(11-22)9-18(8-16)12-22/h1-4,16-18H,5-14H2,(H,26,27)