(2S)-2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(E)-2-benzamido-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(E)-2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-(2-chlorophenyl)acryloyl]amino]-4-methyl-valerate Formula: C22H22ClN2O4- MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)/C(=C\C1=CC=CC=C1Cl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23ClN2O4/c1-14(2)12-19(22(28)29)25-21(27)18(13-16-10-6-7-11-17(16)23)24-20(26)15-8-4-3-5-9-15/h3-11,13-14,19H,12H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/p-1/b18-13+/t19-/m0/s1