(2S)-3-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(3S)-1-tosylnipecotoyl]amino]butyrate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C18H26N2O5S/c1-12(2)16(18(22)23)19-17(21)14-5-4-10-20(11-14)26(24,25)15-8-6-13(3)7-9-15/h6-9,12,14,16H,4-5,10-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/t14-,16-/m0/s1