3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)carbonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-[(4-methylphenyl)carbonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[2-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-[(4-methylbenzoyl)amino]benzoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(p-toluoylamino)benzoyl]amino]propionic acid Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C26H23N3O4/c1-16-10-12-17(13-11-16)24(30)28-22-9-5-3-7-20(22)25(31)29-23(26(32)33)14-18-15-27-21-8-4-2-6-19(18)21/h2-13,15,23,27H,14H2,1H3,(H,28,30)(H,29,31)(H,32,33)