(2S)-2-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-phenyl-acryloyl]amino]-4-(methylthio)butyrate Formula: C19H18BrN2O5S- MolecularWeight: 466.32562

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C19H19BrN2O5S/c1-28-10-9-13(19(25)26)21-17(23)14(11-12-5-3-2-4-6-12)22-18(24)15-7-8-16(20)27-15/h2-8,11,13H,9-10H2,1H3,(H,21,23)(H,22,24)(H,25,26)/p-1/b14-11+/t13-/m0/s1