3-[[3-[4-morpholin-4-yl-3-(thiophen-2-ylcarbonylamino)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[4-morpholin-4-yl-3-(thiophen-2-ylcarbonylamino)phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[4-morpholino-3-(thiophene-2-carbonylamino)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-(4-morpholinyl)-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[4-morpholin-4-yl-3-(thiophene-2-carbonylamino)phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[4-morpholino-3-(2-thenoylamino)phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C31H30N4O5S MolecularWeight: 570.6587

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4=CN=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C31H30N4O5S/c36-29(37)10-12-35(31(39)25-6-2-11-32-20-25)21-22-4-1-5-23(18-22)24-8-9-27(34-13-15-40-16-14-34)26(19-24)33-30(38)28-7-3-17-41-28/h1-9,11,17-20H,10,12-16,21H2,(H,33,38)(H,36,37)