methyl (2S)-2-[[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[[(3R)-1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(3R)-1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]propionic acid methyl ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N[C@@H](CO)C(=O)OC

InChI

InChI=1S/C17H24N2O7S/c1-25-13-5-7-14(8-6-13)27(23,24)19-9-3-4-12(10-19)16(21)18-15(11-20)17(22)26-2/h5-8,12,15,20H,3-4,9-11H2,1-2H3,(H,18,21)/t12-,15+/m1/s1