methyl (2S)-2-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[[3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[3-[(2S)-2-methylpiperidino]sulfonylbenzoyl]amino]propionic acid methyl ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@@H](CO)C(=O)OC

InChI

InChI=1S/C17H24N2O6S/c1-12-6-3-4-9-19(12)26(23,24)14-8-5-7-13(10-14)16(21)18-15(11-20)17(22)25-2/h5,7-8,10,12,15,20H,3-4,6,9,11H2,1-2H3,(H,18,21)/t12-,15-/m0/s1