3-phenyl-2-[[2-(4,5,6,7-tetrahydro-1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[2-(4,5,6,7-tetrahydro-1H-indol-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-(4,5,6,7-tetrahydro-1H-indole-2-carbonylamino)benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[2-[[oxo(4,5,6,7-tetrahydro-1H-indol-2-yl)methyl]amino]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-(4,5,6,7-tetrahydro-1H-indole-2-carbonylamino)benzoyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[2-(4,5,6,7-tetrahydro-1H-indole-2-carbonylamino)benzoyl]amino]propionic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(N2)C(=O)NC3=CC=CC=C3C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(N2)C(=O)NC3=CC=CC=C3C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-3,5,7-9,11,13,15,22,26H,4,6,10,12,14H2,(H,27,30)(H,28,29)(H,31,32)