(2S,3S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]valerate Formula: C19H27N2O5S- MolecularWeight: 395.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-13(2)17(19(23)24)20-18(22)15-9-8-14(3)16(12-15)27(25,26)21-10-6-5-7-11-21/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,20,22)(H,23,24)/p-1/t13-,17-/m0/s1