(2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-3-phenyl-propionate Formula: C25H20BrN2O4- MolecularWeight: 492.3413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(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)C[C@@H](C(=O)[O-])NC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21BrN2O4/c26-20-13-11-18(12-14-20)15-21(27-23(29)19-9-5-2-6-10-19)24(30)28-22(25(31)32)16-17-7-3-1-4-8-17/h1-15,22H,16H2,(H,27,29)(H,28,30)(H,31,32)/p-1/b21-15+/t22-/m0/s1