N-[1-azanyl-3-(3-methyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-2-(3-phenylbutylamino)butanamide

Systemtic Name: N-[1-azanyl-3-(3-methyl-4-oxidanyl-phenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-2-(3-phenylbutylamino)butanamide Openeye Name: N-[2-amino-1-[(4-hydroxy-3-methyl-phenyl)methyl]-2-oxo-ethyl]-3-methyl-2-(3-phenylbutylamino)butanamide CAS Name: N-[1-amino-3-(4-hydroxy-3-methylphenyl)-1-oxopropan-2-yl]-3-methyl-2-(3-phenylbutylamino)butanamide IUPAC Name: N-[1-amino-3-(4-hydroxy-3-methylphenyl)-1-oxopropan-2-yl]-3-methyl-2-(3-phenylbutylamino)butanamide Traditional Name: N-[2-amino-1-(4-hydroxy-3-methyl-benzyl)-2-keto-ethyl]-3-methyl-2-(3-phenylbutylamino)butyramide Formula: C25H35N3O3 MolecularWeight: 425.5637

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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)NCCC(C)C2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C=CC(=C1)CC(C(=O)N)NC(=O)C(C(C)C)NCCC(C)C2=CC=CC=C2)O

InChI

InChI=1S/C25H35N3O3/c1-16(2)23(27-13-12-17(3)20-8-6-5-7-9-20)25(31)28-21(24(26)30)15-19-10-11-22(29)18(4)14-19/h5-11,14,16-17,21,23,27,29H,12-13,15H2,1-4H3,(H2,26,30)(H,28,31)