3-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-(3-benzamido-4-morpholino-phenyl)phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-benzamido-4-(4-morpholinyl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-(3-benzamido-4-morpholin-4-ylphenyl)phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-(3-benzamido-4-morpholino-phenyl)benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O5/c35-29(36)13-14-34(31(38)24-9-10-24)21-22-5-4-8-25(19-22)26-11-12-28(33-15-17-39-18-16-33)27(20-26)32-30(37)23-6-2-1-3-7-23/h1-8,11-12,19-20,24H,9-10,13-18,21H2,(H,32,37)(H,35,36)