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

Systemtic Name: 3-[[3-[3-(cyclohexylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-(cyclohexanecarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-[[cyclohexyl(oxo)methyl]amino]-4-(4-morpholinyl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-(cyclohexanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-(cyclohexanecarbonylamino)-4-morpholino-phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C31H39N3O5 MolecularWeight: 533.65846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)N5CCOCC5

InChI

InChI=1S/C31H39N3O5/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/h4-5,8,11-12,19-20,23-24H,1-3,6-7,9-10,13-18,21H2,(H,32,37)(H,35,36)