3-(1H-indol-3-yl)-2-[phenylcarbonyl-(pyrrolidin-2-ylcarbonylamino)amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[phenylcarbonyl-(pyrrolidin-2-ylcarbonylamino)amino]propanoic acid Openeye Name: 2-[benzoyl-(pyrrolidine-2-carbonylamino)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[benzoyl-[[oxo(2-pyrrolidinyl)methyl]amino]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[benzoyl-(pyrrolidine-2-carbonylamino)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[benzoyl-(prolylamino)amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NN(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(NC1)C(=O)NN(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c28-21(19-11-6-12-24-19)26-27(22(29)15-7-2-1-3-8-15)20(23(30)31)13-16-14-25-18-10-5-4-9-17(16)18/h1-5,7-10,14,19-20,24-25H,6,11-13H2,(H,26,28)(H,30,31)