(2S)-2-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(E)-2-benzamido-3-phenyl-prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-2-benzamido-1-oxo-3-phenylprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-phenyl-acryloyl]amino]-4-(methylthio)butyrate Formula: C21H21N2O4S- MolecularWeight: 397.46744

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-28-13-12-17(21(26)27)22-20(25)18(14-15-8-4-2-5-9-15)23-19(24)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,25)(H,23,24)(H,26,27)/p-1/b18-14+/t17-/m0/s1