2-[4-[(phenylmethyl)-[4,4,4-tris(fluoranyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butylcarbamoyloxy]ethanoic acid

Systemtic Name: 2-[4-[(phenylmethyl)-[4,4,4-tris(fluoranyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butylcarbamoyloxy]ethanoic acid Openeye Name: 2-[4-[benzyl-[3-(tert-butoxycarbonylamino)-4,4,4-trifluoro-butyl]amino]butylcarbamoyloxy]acetic acid CAS Name: 2-[oxo-[4-[(phenylmethyl)-[4,4,4-trifluoro-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]amino]butylamino]methoxy]acetic acid IUPAC Name: 2-[4-[benzyl-[4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butylcarbamoyloxy]acetic acid Traditional Name: 2-[4-[benzyl-[3-(tert-butoxycarbonylamino)-4,4,4-trifluoro-butyl]amino]butylcarbamoyloxy]acetic acid Formula: C23H34F3N3O6 MolecularWeight: 505.52777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN(CCCCNC(=O)OCC(=O)O)CC1=CC=CC=C1)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCN(CCCCNC(=O)OCC(=O)O)CC1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C23H34F3N3O6/c1-22(2,3)35-21(33)28-18(23(24,25)26)11-14-29(15-17-9-5-4-6-10-17)13-8-7-12-27-20(32)34-16-19(30)31/h4-6,9-10,18H,7-8,11-16H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)