5-fluoranyl-3-[[(2S)-1-isoquinolin-1-ylcarbonylpiperidin-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[(2S)-1-isoquinolin-1-ylcarbonylpiperidin-2-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[(2S)-1-(isoquinoline-1-carbonyl)piperidine-2-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[[(2S)-1-[1-isoquinolinyl(oxo)methyl]-2-piperidinyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[(2S)-1-(isoquinoline-1-carbonyl)piperidine-2-carbonyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-3-[[(2S)-1-(isoquinoline-1-carbonyl)pipecoloyl]amino]-4-keto-valeric acid Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H22FN3O5/c22-12-17(26)15(11-18(27)28)24-20(29)16-7-3-4-10-25(16)21(30)19-14-6-2-1-5-13(14)8-9-23-19/h1-2,5-6,8-9,15-16H,3-4,7,10-12H2,(H,24,29)(H,27,28)/t15?,16-/m0/s1