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

Systemtic Name: 3-[[3-[3-(cyclobutylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-[[cyclobutyl(oxo)methyl]amino]-4-(4-morpholinyl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-(cyclobutanecarbonylamino)-4-morpholino-phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)N5CCOCC5

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)N5CCOCC5

InChI

InChI=1S/C29H35N3O5/c33-27(34)11-12-32(29(36)22-7-8-22)19-20-3-1-6-23(17-20)24-9-10-26(31-13-15-37-16-14-31)25(18-24)30-28(35)21-4-2-5-21/h1,3,6,9-10,17-18,21-22H,2,4-5,7-8,11-16,19H2,(H,30,35)(H,33,34)