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

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinyl-N-(3-phenylpropyl)butanamide Traditional Name: 4-methylsulfinyl-N-(3-phenylpropyl)-2-(tyrosylamino)butyramide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)NCCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CS(=O)CCC(C(=O)NCCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C23H31N3O4S/c1-31(30)15-13-21(23(29)25-14-5-8-17-6-3-2-4-7-17)26-22(28)20(24)16-18-9-11-19(27)12-10-18/h2-4,6-7,9-12,20-21,27H,5,8,13-16,24H2,1H3,(H,25,29)(H,26,28)