2-[3-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]amino]propylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[3-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]amino]propylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[3-[[2-(1H-indol-3-yl)-2-oxo-ethyl]amino]propylamino]ethylsulfanylphosphonic acid CAS Name: [2-[3-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]propylamino]ethylthio]phosphonic acid IUPAC Name: 2-[3-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]propylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[3-[[2-(1H-indol-3-yl)-2-keto-ethyl]amino]propylamino]ethylthio]phosphonic acid Formula: C15H22N3O4PS MolecularWeight: 371.391641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CNCCCNCCSP(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CNCCCNCCSP(=O)(O)O

InChI

InChI=1S/C15H22N3O4PS/c19-15(13-10-18-14-5-2-1-4-12(13)14)11-17-7-3-6-16-8-9-24-23(20,21)22/h1-2,4-5,10,16-18H,3,6-9,11H2,(H2,20,21,22)