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

Systemtic Name: (2S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]butyric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C(C)C)C(=O)O)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)O)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O5S/c1-12(2)16(18(22)23)19-17(21)14-8-7-13(3)15(11-14)26(24,25)20-9-5-4-6-10-20/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,19,21)(H,22,23)/t16-/m0/s1