5-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]pentanoic acid

Systemtic Name: 5-[5-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-ethanoylsulfanyl-piperidin-3-ylidene]methyl]-1,2,3-triazol-1-yl]pentanoic acid Openeye Name: 5-[5-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidylidene]methyl]triazol-1-yl]pentanoic acid CAS Name: 5-[5-[(Z)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinylidene]methyl]-1-triazolyl]pentanoic acid IUPAC Name: 5-[5-[(Z)-[4-acetylsulfanyl-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-ylidene]methyl]triazol-1-yl]pentanoic acid Traditional Name: 5-[5-[(Z)-[4-(acetylthio)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidylidene]methyl]triazol-1-yl]valeric acid Formula: C26H31FN4O4S MolecularWeight: 514.612143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1=CC2=CN=NN2CCCCC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC(=O)SC\1CCN(C/C1=C/C2=CN=NN2CCCCC(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C26H31FN4O4S/c1-17(32)36-23-11-13-30(25(26(35)18-9-10-18)21-6-2-3-7-22(21)27)16-19(23)14-20-15-28-29-31(20)12-5-4-8-24(33)34/h2-3,6-7,14-15,18,23,25H,4-5,8-13,16H2,1H3,(H,33,34)/b19-14-