3-(1H-imidazol-5-yl)-2-[3-(octylsulfonylamino)propanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[3-(octylsulfonylamino)propanoylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[3-(octylsulfonylamino)propanoylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-(octylsulfonylamino)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[3-(octylsulfonylamino)propanoylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[3-(octylsulfonylamino)propanoylamino]propionic acid Formula: C17H30N4O5S MolecularWeight: 402.5089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C17H30N4O5S/c1-2-3-4-5-6-7-10-27(25,26)20-9-8-16(22)21-15(17(23)24)11-14-12-18-13-19-14/h12-13,15,20H,2-11H2,1H3,(H,18,19)(H,21,22)(H,23,24)