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

Systemtic Name: N-[1-azanyl-3-(3-tert-butyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-2-[[3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butanamide Openeye Name: N-[2-amino-1-[(3-tert-butyl-4-hydroxy-phenyl)methyl]-2-oxo-ethyl]-2-[[3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-3-methyl-butanamide CAS Name: N-[1-amino-3-(3-tert-butyl-4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[3-(4-fluorophenyl)-2-(methylamino)-1-oxopropyl]-methylamino]-3-methylbutanamide IUPAC Name: N-[1-amino-3-(3-tert-butyl-4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide Traditional Name: N-[2-amino-1-(3-tert-butyl-4-hydroxy-benzyl)-2-keto-ethyl]-2-[[3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methyl-amino]-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)N)N(C)C(=O)C(CC2=CC=C(C=C2)F)NC

Isomeric SMILES

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

InChI

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