methyl (2S)-3-oxidanyl-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]propanoate CAS Name: (2S)-3-hydroxy-2-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]propanoate Traditional Name: (2S)-3-hydroxy-2-[3-(4-piperidinosulfonylphenyl)propanoylamino]propionic acid methyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O6S/c1-26-18(23)16(13-21)19-17(22)10-7-14-5-8-15(9-6-14)27(24,25)20-11-3-2-4-12-20/h5-6,8-9,16,21H,2-4,7,10-13H2,1H3,(H,19,22)/t16-/m0/s1