[3-[(2S)-3-azanyl-2-[[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanylidene-propyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-[(2S)-3-azanyl-2-[[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanylidene-propyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-[(2S)-3-amino-2-[[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-oxo-propyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[(2S)-3-amino-2-[[(2S,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [3-[(2S)-3-amino-2-[[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-oxopropyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-[(2S)-3-amino-2-[[(2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-keto-propyl]phenyl] ester Formula: C25H32F3N3O7S MolecularWeight: 575.59769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNC(CC2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F)C(=O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN[C@@H](CC2=CC(=CC=C2)OS(=O)(=O)C(F)(F)F)C(=O)N)O

InChI

InChI=1S/C25H32F3N3O7S/c1-24(2,3)37-23(34)31-19(13-16-8-5-4-6-9-16)21(32)15-30-20(22(29)33)14-17-10-7-11-18(12-17)38-39(35,36)25(26,27)28/h4-12,19-21,30,32H,13-15H2,1-3H3,(H2,29,33)(H,31,34)/t19-,20-,21-/m0/s1