ditert-butyl (2S)-2-[(4-azanyl-3-fluoranyl-phenoxy)carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[(4-azanyl-3-fluoranyl-phenoxy)carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[(4-amino-3-fluoro-phenoxy)carbonylamino]pentanedioate CAS Name: (2S)-2-[[(4-amino-3-fluorophenoxy)-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(4-amino-3-fluorophenoxy)carbonylamino]pentanedioate Traditional Name: (2S)-2-[(4-amino-3-fluoro-phenoxy)carbonylamino]glutaric acid ditert-butyl ester Formula: C20H29FN2O6 MolecularWeight: 412.452463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC1=CC(=C(C=C1)N)F

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC1=CC(=C(C=C1)N)F

InChI

InChI=1S/C20H29FN2O6/c1-19(2,3)28-16(24)10-9-15(17(25)29-20(4,5)6)23-18(26)27-12-7-8-14(22)13(21)11-12/h7-8,11,15H,9-10,22H2,1-6H3,(H,23,26)/t15-/m0/s1