3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(5-fluoranylpyridin-2-yl)sulfonylethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid

Systemtic Name: 3-cyclopropyl-2-[(3S,4S)-3-[[4-[2-(5-fluoranylpyridin-2-yl)sulfonylethyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid Openeye Name: 3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[(5-fluoro-2-pyridyl)sulfonyl]ethyl]-1-piperidyl]methyl]cyclopentyl]propanoic acid CAS Name: 3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[(5-fluoro-2-pyridinyl)sulfonyl]ethyl]-1-piperidinyl]methyl]cyclopentyl]propanoic acid IUPAC Name: 3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-(5-fluoropyridin-2-yl)sulfonylethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid Traditional Name: 3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[(5-fluoro-2-pyridyl)sulfonyl]ethyl]piperidino]methyl]cyclopentyl]propionic acid Formula: C30H38F2N2O4S MolecularWeight: 560.695526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2CC(C(C2)C3=CC(=CC=C3)F)CN4CCC(CC4)CCS(=O)(=O)C5=NC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1CC1CC(C2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)CCS(=O)(=O)C5=NC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C30H38F2N2O4S/c31-25-3-1-2-22(16-25)27-17-23(28(30(35)36)14-21-4-5-21)15-24(27)19-34-11-8-20(9-12-34)10-13-39(37,38)29-7-6-26(32)18-33-29/h1-3,6-7,16,18,20-21,23-24,27-28H,4-5,8-15,17,19H2,(H,35,36)/t23?,24-,27-,28?/m1/s1