2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]-methyl-amino]-N-[3-(3-tert-butyl-4-oxidanyl-phenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-3-methyl-butanamide

Systemtic Name: 2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]-methyl-amino]-N-[3-(3-tert-butyl-4-oxidanyl-phenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-3-methyl-butanamide Openeye Name: 2-[[2-amino-3-(4-fluorophenyl)propanoyl]-methyl-amino]-N-[1-[(3-tert-butyl-4-hydroxy-phenyl)methyl]-2-(methylamino)-2-oxo-ethyl]-3-methyl-butanamide CAS Name: 2-[[2-amino-3-(4-fluorophenyl)-1-oxopropyl]-methylamino]-N-[3-(3-tert-butyl-4-hydroxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-methylbutanamide IUPAC Name: 2-[[2-amino-3-(4-fluorophenyl)propanoyl]-methylamino]-N-[3-(3-tert-butyl-4-hydroxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-methylbutanamide Traditional Name: 2-[[2-amino-3-(4-fluorophenyl)propanoyl]-methyl-amino]-N-[1-(3-tert-butyl-4-hydroxy-benzyl)-2-keto-2-(methylamino)ethyl]-3-methyl-butyramide Formula: C29H41FN4O4 MolecularWeight: 528.658643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC(=C(C=C1)O)C(C)(C)C)C(=O)NC)N(C)C(=O)C(CC2=CC=C(C=C2)F)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC(=C(C=C1)O)C(C)(C)C)C(=O)NC)N(C)C(=O)C(CC2=CC=C(C=C2)F)N

InChI

InChI=1S/C29H41FN4O4/c1-17(2)25(34(7)28(38)22(31)15-18-8-11-20(30)12-9-18)27(37)33-23(26(36)32-6)16-19-10-13-24(35)21(14-19)29(3,4)5/h8-14,17,22-23,25,35H,15-16,31H2,1-7H3,(H,32,36)(H,33,37)