(2S,3S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[(3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]-3-methyl-valerate Formula: C19H27N2O6S- MolecularWeight: 411.49248

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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=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-4-13(2)17(19(23)24)20-18(22)14-6-5-11-21(12-14)28(25,26)16-9-7-15(27-3)8-10-16/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,20,22)(H,23,24)/p-1/t13-,14-,17-/m0/s1