propan-2-yl 2-[[3-methyl-2-(3,5,5-trimethylhexanoylamino)butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 2-[[3-methyl-2-(3,5,5-trimethylhexanoylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 2-[[3-methyl-2-(3,5,5-trimethylhexanoylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-methyl-1-oxo-2-[(3,5,5-trimethyl-1-oxohexyl)amino]butyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[3-methyl-2-(3,5,5-trimethylhexanoylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-methyl-2-(3,5,5-trimethylhexanoylamino)butanoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)C)NC(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)C)NC(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C26H42N2O4/c1-17(2)23(28-22(29)14-19(5)16-26(6,7)8)24(30)27-21(25(31)32-18(3)4)15-20-12-10-9-11-13-20/h9-13,17-19,21,23H,14-16H2,1-8H3,(H,27,30)(H,28,29)