[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)OC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C26H34N2O5S/c1-20(23-9-5-3-6-10-23)19-27-26(30)21(2)33-25(29)16-13-22-11-14-24(15-12-22)34(31,32)28-17-7-4-8-18-28/h3,5-6,9-12,14-15,20-21H,4,7-8,13,16-19H2,1-2H3,(H,27,30)/t20-,21+/m1/s1