(2R,3S)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: (2R,3S)-3-methyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]pentanoate Openeye Name: (2R,3S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(1-besylisonipecotoyl)amino]-3-methyl-valerate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O5S/c1-3-13(2)16(18(22)23)19-17(21)14-9-11-20(12-10-14)26(24,25)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3,(H,19,21)(H,22,23)/p-1/t13-,16+/m0/s1