2-[[(Z)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(Z)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenyl-prop-2-enoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[(Z)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(Z)-2-[(5-bromo-2-furoyl)amino]-3-phenyl-acryloyl]amino]-4-methyl-valeric acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)/C(=C/C1=CC=CC=C1)/NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C20H21BrN2O5/c1-12(2)10-15(20(26)27)23-18(24)14(11-13-6-4-3-5-7-13)22-19(25)16-8-9-17(21)28-16/h3-9,11-12,15H,10H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/b14-11-