methyl (2S)-3-oxidanyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]propionic acid methyl ester Formula: C14H20N2O6S2 MolecularWeight: 376.4484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C14H20N2O6S2/c1-22-14(19)11(9-17)15-13(18)10-4-2-6-16(8-10)24(20,21)12-5-3-7-23-12/h3,5,7,10-11,17H,2,4,6,8-9H2,1H3,(H,15,18)/t10-,11-/m0/s1