ethyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[3-[(4-fluorophenyl)thio]propanoylamino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H32FN3O4S MolecularWeight: 501.613383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C26H32FN3O4S/c1-2-34-24(32)22(18-19-6-4-3-5-7-19)29-25(33)26(13-15-28-16-14-26)30-23(31)12-17-35-21-10-8-20(27)9-11-21/h3-11,22,28H,2,12-18H2,1H3,(H,29,33)(H,30,31)