3-(4-tert-butylphenyl)-2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-tert-butylphenyl)-2-[[2-(1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(4-tert-butylphenyl)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]propanoic acid CAS Name: 3-(4-tert-butylphenyl)-2-[[[2-[[1H-indol-2-yl(oxo)methyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-tert-butylphenyl)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]propanoic acid Traditional Name: 3-(4-tert-butylphenyl)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]propionic acid Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C29H29N3O4/c1-29(2,3)20-14-12-18(13-15-20)16-25(28(35)36)32-26(33)21-9-5-7-11-23(21)31-27(34)24-17-19-8-4-6-10-22(19)30-24/h4-15,17,25,30H,16H2,1-3H3,(H,31,34)(H,32,33)(H,35,36)