3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propanoic acid

Systemtic Name: 3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propanoic acid Openeye Name: 3-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]propanoic acid CAS Name: 3-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]propanoic acid IUPAC Name: 3-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]propanoic acid Traditional Name: 3-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C16H22N2O5S/c19-15(20)9-11-18-10-5-4-8-14(16(18)21)17-24(22,23)12-13-6-2-1-3-7-13/h1-3,6-7,14,17H,4-5,8-12H2,(H,19,20)/t14-/m0/s1