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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(oxolan-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(tetrahydrofuran-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[oxo(2-oxolanyl)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(oxolane-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-(tetrahydrofuran-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H33N5O6 MolecularWeight: 535.59152

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C28H33N5O6/c34-25(35)16-21(20-3-1-9-29-17-20)30-26(36)19-7-8-23(22(15-19)31-27(37)24-4-2-14-39-24)32-10-12-33(13-11-32)28(38)18-5-6-18/h1,3,7-9,15,17-18,21,24H,2,4-6,10-14,16H2,(H,30,36)(H,31,37)(H,34,35)