(2R)-2-azanyl-N-methyl-4-methylsulfinyl-N-(3-phenylpropyl)butanamide hydrate hydrochloride

Systemtic Name: (2R)-2-azanyl-N-methyl-4-methylsulfinyl-N-(3-phenylpropyl)butanamide hydrate hydrochloride Openeye Name: (2R)-2-amino-N-methyl-4-methylsulfinyl-N-(3-phenylpropyl)butanamide hydrate hydrochloride CAS Name: (2R)-2-amino-N-methyl-4-methylsulfinyl-N-(3-phenylpropyl)butanamide hydrate hydrochloride IUPAC Name: (2R)-2-amino-N-methyl-4-methylsulfinyl-N-(3-phenylpropyl)butanamide hydrate hydrochloride Traditional Name: (2R)-2-amino-N-methyl-4-methylsulfinyl-N-(3-phenylpropyl)butyramide hydrate hydrochloride Formula: C15H27ClN2O3S MolecularWeight: 350.90448

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)C(=O)C(CCS(=O)C)N.O.Cl

Isomeric SMILES

CN(CCCC1=CC=CC=C1)C(=O)[C@@H](CCS(=O)C)N.O.Cl

InChI

InChI=1S/C15H24N2O2S.ClH.H2O/c1-17(15(18)14(16)10-12-20(2)19)11-6-9-13-7-4-3-5-8-13;;/h3-5,7-8,14H,6,9-12,16H2,1-2H3;1H;1H2/t14-,20?;;/m1../s1