(2S)-3-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-(1-piperidylsulfonyl)benzoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-piperidinosulfonylbenzoyl)amino]butyric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-12(2)15(17(21)22)18-16(20)13-6-8-14(9-7-13)25(23,24)19-10-4-3-5-11-19/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1