(2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)acryloyl]amino]-4-(methylthio)butyrate Formula: C16H18FN2O4S- MolecularWeight: 353.388523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=C(C=C1)F)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=C(C=C1)F)/C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H19FN2O4S/c1-10(20)18-14(9-11-3-5-12(17)6-4-11)15(21)19-13(16(22)23)7-8-24-2/h3-6,9,13H,7-8H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/p-1/b14-9-/t13-/m1/s1