tert-butyl 2-[[(2S)-2-azanyl-5-(3-fluorophenyl)-4-oxidanylidene-pentanoyl]-pyridin-3-yl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S)-2-azanyl-5-(3-fluorophenyl)-4-oxidanylidene-pentanoyl]-pyridin-3-yl-amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-2-amino-5-(3-fluorophenyl)-4-oxo-pentanoyl]-(3-pyridyl)amino]acetate CAS Name: 2-[[(2S)-2-amino-5-(3-fluorophenyl)-1,4-dioxopentyl]-(3-pyridinyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-2-amino-5-(3-fluorophenyl)-4-oxopentanoyl]-pyridin-3-ylamino]acetate Traditional Name: 2-[[(2S)-2-amino-5-(3-fluorophenyl)-4-keto-pentanoyl]-(3-pyridyl)amino]acetic acid tert-butyl ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1=CN=CC=C1)C(=O)C(CC(=O)CC2=CC(=CC=C2)F)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O4/c1-22(2,3)30-20(28)14-26(17-8-5-9-25-13-17)21(29)19(24)12-18(27)11-15-6-4-7-16(23)10-15/h4-10,13,19H,11-12,14,24H2,1-3H3/t19-/m0/s1