3-[[3-[3-(cyclopropylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[3-(cyclopropylcarbonylamino)-4-morpholin-4-yl-phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-(cyclopropanecarbonylamino)-4-morpholino-phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-[[cyclopropyl(oxo)methyl]amino]-4-(4-morpholinyl)phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-(cyclopropanecarbonylamino)-4-morpholin-4-ylphenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-(cyclopropanecarbonylamino)-4-morpholino-phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N5CCOCC5

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)N5CCOCC5

InChI

InChI=1S/C30H32N4O5/c35-28(36)10-12-34(30(38)25-5-2-11-31-19-25)20-21-3-1-4-23(17-21)24-8-9-27(33-13-15-39-16-14-33)26(18-24)32-29(37)22-6-7-22/h1-5,8-9,11,17-19,22H,6-7,10,12-16,20H2,(H,32,37)(H,35,36)