(2R)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-29-12-11-17(21(27)28)23-20(26)18(13-14-7-9-16(22)10-8-14)24-19(25)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)/b18-13+/t17-/m1/s1