N-[1-azanyl-3-(4-fluoranyl-3-methyl-phenyl)-1-oxidanylidene-propan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide

Systemtic Name: N-[1-azanyl-3-(4-fluoranyl-3-methyl-phenyl)-1-oxidanylidene-propan-2-yl]-2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide Openeye Name: N-[2-amino-1-[(4-fluoro-3-methyl-phenyl)methyl]-2-oxo-ethyl]-2-[(2-amino-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanamide CAS Name: N-[1-amino-3-(4-fluoro-3-methylphenyl)-1-oxopropan-2-yl]-2-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]-3-methylbutanamide IUPAC Name: N-[1-amino-3-(4-fluoro-3-methylphenyl)-1-oxopropan-2-yl]-2-[(2-amino-3-phenylpropanoyl)-methylamino]-3-methylbutanamide Traditional Name: N-[2-amino-1-(4-fluoro-3-methyl-benzyl)-2-keto-ethyl]-3-methyl-2-[methyl(phenylalanyl)amino]butyramide Formula: C25H33FN4O3 MolecularWeight: 456.552923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33FN4O3/c1-15(2)22(30(4)25(33)20(27)13-17-8-6-5-7-9-17)24(32)29-21(23(28)31)14-18-10-11-19(26)16(3)12-18/h5-12,15,20-22H,13-14,27H2,1-4H3,(H2,28,31)(H,29,32)