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

Systemtic Name: ditert-butyl (2S)-2-[(4-azanyl-2-fluoranyl-phenyl)carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[(4-amino-2-fluoro-benzoyl)amino]pentanedioate CAS Name: (2S)-2-[[(4-amino-2-fluorophenyl)-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[(4-amino-2-fluorobenzoyl)amino]pentanedioate Traditional Name: (2S)-2-[(4-amino-2-fluoro-benzoyl)amino]glutaric acid ditert-butyl ester Formula: C20H29FN2O5 MolecularWeight: 396.453063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN2O5/c1-19(2,3)27-16(24)10-9-15(18(26)28-20(4,5)6)23-17(25)13-8-7-12(22)11-14(13)21/h7-8,11,15H,9-10,22H2,1-6H3,(H,23,25)/t15-/m0/s1