3-[[3-(oxolan-2-ylcarbonylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(oxolan-2-ylcarbonylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[3-(tetrahydrofuran-2-carbonylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[[oxo(2-oxolanyl)methyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(oxolane-2-carbonylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[[3-(tetrahydrofuran-2-carbonylamino)-4-[4-(2-thenoyl)piperazino]benzoyl]amino]propionic acid Formula: C29H31N5O6S MolecularWeight: 577.65134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CC(OC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H31N5O6S/c35-26(36)17-21(20-4-1-9-30-18-20)31-27(37)19-7-8-23(22(16-19)32-28(38)24-5-2-14-40-24)33-10-12-34(13-11-33)29(39)25-6-3-15-41-25/h1,3-4,6-9,15-16,18,21,24H,2,5,10-14,17H2,(H,31,37)(H,32,38)(H,35,36)