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

Systemtic Name: (2S,3S)-3-methyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]pentanoate Openeye Name: (2S,3S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(3S)-1-besylnipecotoyl]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)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

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