(2R)-2-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]propanoic acid Openeye Name: (2R)-2-[[(E)-3-(4-acetoxyphenyl)-2-benzamido-prop-2-enoyl]amino]propanoic acid CAS Name: (2R)-2-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(E)-3-(4-acetyloxyphenyl)-2-benzamidoprop-2-enoyl]amino]propanoic acid Traditional Name: (2R)-2-[[(E)-3-(4-acetoxyphenyl)-2-benzamido-acryloyl]amino]propionic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(=CC1=CC=C(C=C1)OC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-13(21(27)28)22-20(26)18(23-19(25)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)29-14(2)24/h3-13H,1-2H3,(H,22,26)(H,23,25)(H,27,28)/b18-12+/t13-/m1/s1