(2S)-2-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2S)-2-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-benzylsulfanyl-propanoate CAS Name: (2S)-2-[[(Z)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2S)-2-[[(Z)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-benzylsulfanylpropanoate Traditional Name: (2S)-2-[[(Z)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-3-(benzylthio)propionate Formula: C26H22BrN2O4S- MolecularWeight: 538.43288

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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)CSC[C@H](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)/p-1/b22-15-/t23-/m1/s1