(2S)-2-[[(2S)-2-(3-fluoranyl-4-phenyl-phenyl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S)-2-(3-fluoranyl-4-phenyl-phenyl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S)-2-(3-fluoro-4-phenyl-phenyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-(3-fluoro-4-phenylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S)-2-(3-fluoro-4-phenylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(3-fluoro-4-phenyl-phenyl)propanoyl]amino]-4-(methylthio)butyrate Formula: C20H21FNO3S- MolecularWeight: 374.449043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C20H22FNO3S/c1-13(19(23)22-18(20(24)25)10-11-26-2)15-8-9-16(17(21)12-15)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3,(H,22,23)(H,24,25)/p-1/t13-,18-/m0/s1