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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H32N2O5S/c1-19(22-9-5-3-6-10-22)26-25(29)20(2)32-24(28)16-13-21-11-14-23(15-12-21)33(30,31)27-17-7-4-8-18-27/h3,5-6,9-12,14-15,19-20H,4,7-8,13,16-18H2,1-2H3,(H,26,29)/t19-,20+/m1/s1