2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-benzylsulfanylpropanoic acid Traditional Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-3-(benzylthio)propionic acid Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H23BrN2O4S/c27-21-13-11-18(12-14-21)15-22(28-24(30)20-9-5-2-6-10-20)25(31)29-23(26(32)33)17-34-16-19-7-3-1-4-8-19/h1-15,23H,16-17H2,(H,28,30)(H,29,31)(H,32,33)/b22-15+