2-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[(Z)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(Z)-2-acetamido-1-oxo-3-phenylprop-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(Z)-2-acetamido-3-phenyl-acryloyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H21N3O4/c1-14(26)24-19(11-15-7-3-2-4-8-15)21(27)25-20(22(28)29)12-16-13-23-18-10-6-5-9-17(16)18/h2-11,13,20,23H,12H2,1H3,(H,24,26)(H,25,27)(H,28,29)/b19-11-