methyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[3-[(4-fluorophenyl)thio]propanoylamino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C19H26FN3O5S MolecularWeight: 427.490243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1(CCNCC1)NC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C19H26FN3O5S/c1-28-17(26)15(12-24)22-18(27)19(7-9-21-10-8-19)23-16(25)6-11-29-14-4-2-13(20)3-5-14/h2-5,15,21,24H,6-12H2,1H3,(H,22,27)(H,23,25)