2-[(4-azanyl-2-fluoranyl-phenyl)carbonyl-tert-butyl-amino]-2-tert-butyl-pentanedioic acid

Systemtic Name: 2-[(4-azanyl-2-fluoranyl-phenyl)carbonyl-tert-butyl-amino]-2-tert-butyl-pentanedioic acid Openeye Name: 2-[(4-amino-2-fluoro-benzoyl)-tert-butyl-amino]-2-tert-butyl-pentanedioic acid CAS Name: 2-[[(4-amino-2-fluorophenyl)-oxomethyl]-tert-butylamino]-2-tert-butylpentanedioic acid IUPAC Name: 2-[(4-amino-2-fluorobenzoyl)-tert-butylamino]-2-tert-butylpentanedioic acid Traditional Name: 2-[(4-amino-2-fluoro-benzoyl)-tert-butyl-amino]-2-tert-butyl-glutaric acid Formula: C20H29FN2O5 MolecularWeight: 396.453063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCC(=O)O)(C(=O)O)N(C(=O)C1=C(C=C(C=C1)N)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(CCC(=O)O)(C(=O)O)N(C(=O)C1=C(C=C(C=C1)N)F)C(C)(C)C

InChI

InChI=1S/C20H29FN2O5/c1-18(2,3)20(17(27)28,10-9-15(24)25)23(19(4,5)6)16(26)13-8-7-12(22)11-14(13)21/h7-8,11H,9-10,22H2,1-6H3,(H,24,25)(H,27,28)