(2S)-2-(butylsulfonylamino)-3-[(9-pyridin-4-yl-9-azaspiro[5.5]undecan-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-(butylsulfonylamino)-3-[(9-pyridin-4-yl-9-azaspiro[5.5]undecan-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-(butylsulfonylamino)-3-[[9-(4-pyridyl)-9-azaspiro[5.5]undecane-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-(butylsulfonylamino)-3-[[oxo-(9-pyridin-4-yl-9-azaspiro[5.5]undecan-3-yl)methyl]amino]propanoic acid IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[(9-pyridin-4-yl-9-azaspiro[5.5]undecane-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-(butylsulfonylamino)-3-[[9-(4-pyridyl)-9-azaspiro[5.5]undecane-3-carbonyl]amino]propionic acid Formula: C23H36N4O5S MolecularWeight: 480.62074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)C1CCC2(CC1)CCN(CC2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](CNC(=O)C1CCC2(CC1)CCN(CC2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C23H36N4O5S/c1-2-3-16-33(31,32)26-20(22(29)30)17-25-21(28)18-4-8-23(9-5-18)10-14-27(15-11-23)19-6-12-24-13-7-19/h6-7,12-13,18,20,26H,2-5,8-11,14-17H2,1H3,(H,25,28)(H,29,30)/t20-/m0/s1