methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(4-fluorophenyl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(4-fluorophenyl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H26FNO4S MolecularWeight: 383.477443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)F)CSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)F)CSC(=O)C

InChI

InChI=1S/C19H26FNO4S/c1-12(2)9-17(19(24)25-4)21-18(23)15(11-26-13(3)22)10-14-5-7-16(20)8-6-14/h5-8,12,15,17H,9-11H2,1-4H3,(H,21,23)