N-[[(5S)-3-[4-[4-[6-[3-(aminomethyl)phenyl]hex-5-ynoyl]piperazin-1-yl]-2,3,5-tris(fluoranyl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide

Systemtic Name: N-[[(5S)-3-[4-[4-[6-[3-(aminomethyl)phenyl]hex-5-ynoyl]piperazin-1-yl]-2,3,5-tris(fluoranyl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide Openeye Name: N-[[(5S)-3-[4-[4-[6-[3-(aminomethyl)phenyl]hex-5-ynoyl]piperazin-1-yl]-2,3,5-trifluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide CAS Name: N-[[(5S)-3-[4-[4-[6-[3-(aminomethyl)phenyl]-1-oxohex-5-ynyl]-1-piperazinyl]-2,3,5-trifluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide IUPAC Name: N-[[(5S)-3-[4-[4-[6-[3-(aminomethyl)phenyl]hex-5-ynoyl]piperazin-1-yl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide Traditional Name: N-[[(5S)-3-[4-[4-[6-[3-(aminomethyl)phenyl]hex-5-ynoyl]piperazino]-2,3,5-trifluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide Formula: C29H32F3N5O4 MolecularWeight: 571.59069

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2F)F)N3CCN(CC3)C(=O)CCCC#CC4=CC(=CC=C4)CN)F

Isomeric SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2F)F)N3CCN(CC3)C(=O)CCCC#CC4=CC(=CC=C4)CN)F

InChI

InChI=1S/C29H32F3N5O4/c1-19(38)34-17-22-18-37(29(40)41-22)24-15-23(30)28(27(32)26(24)31)36-12-10-35(11-13-36)25(39)9-4-2-3-6-20-7-5-8-21(14-20)16-33/h5,7-8,14-15,22H,2,4,9-13,16-18,33H2,1H3,(H,34,38)/t22-/m0/s1