(2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-3-methyl-butyrate Formula: C21H20BrN2O4- MolecularWeight: 444.2985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-14-8-10-16(22)11-9-14)23-19(25)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/p-1/b17-12+/t18-/m0/s1