2-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide

Systemtic Name: 2-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide Openeye Name: 2-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide CAS Name: 2-[[3-(4-hydroxyphenyl)-2-(methylamino)-1-oxopropyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide IUPAC Name: 2-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide Traditional Name: 2-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butyramide Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=C(C=C1)O)C(=O)NC(CCS(=O)C)C(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CNC(CC1=CC=C(C=C1)O)C(=O)NC(CCS(=O)C)C(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C24H33N3O4S/c1-25-22(17-19-10-12-20(28)13-11-19)24(30)27-21(14-16-32(2)31)23(29)26-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,21-22,25,28H,6,9,14-17H2,1-2H3,(H,26,29)(H,27,30)