2-(phenylsulfonylamino)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 2-(phenylsulfonylamino)-3-[2-[5-(pyridin-2-ylamino)pentanoylamino]ethanoylamino]propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[1-oxo-2-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]ethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[2-[5-(pyridin-2-ylamino)pentanoylamino]acetyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[2-[5-(2-pyridylamino)pentanoylamino]acetyl]amino]propionic acid Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CNC(=O)CCCCNC2=CC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CNC(=O)CCCCNC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C21H27N5O6S/c27-19(11-5-7-13-23-18-10-4-6-12-22-18)25-15-20(28)24-14-17(21(29)30)26-33(31,32)16-8-2-1-3-9-16/h1-4,6,8-10,12,17,26H,5,7,11,13-15H2,(H,22,23)(H,24,28)(H,25,27)(H,29,30)