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

Systemtic Name: (2R)-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S2/c1-13-6-7-14(17(21)19-15(18(22)23)8-11-26-2)12-16(13)27(24,25)20-9-4-3-5-10-20/h6-7,12,15H,3-5,8-11H2,1-2H3,(H,19,21)(H,22,23)/t15-/m1/s1