[1-phosphono-3-[2-(pyrrolidin-2-ylcarbonylamino)ethylsulfanyl]propyl]phosphonic acid

Systemtic Name: [1-phosphono-3-[2-(pyrrolidin-2-ylcarbonylamino)ethylsulfanyl]propyl]phosphonic acid Openeye Name: [1-phosphono-3-[2-(pyrrolidine-2-carbonylamino)ethylsulfanyl]propyl]phosphonic acid CAS Name: [3-[2-[[oxo(2-pyrrolidinyl)methyl]amino]ethylthio]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-phosphono-3-[2-(pyrrolidine-2-carbonylamino)ethylsulfanyl]propyl]phosphonic acid Traditional Name: [1-phosphono-3-[2-(prolylamino)ethylthio]propyl]phosphonic acid Formula: C10H22N2O7P2S MolecularWeight: 376.303402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NCCSCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CC(NC1)C(=O)NCCSCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H22N2O7P2S/c13-10(8-2-1-4-11-8)12-5-7-22-6-3-9(20(14,15)16)21(17,18)19/h8-9,11H,1-7H2,(H,12,13)(H2,14,15,16)(H2,17,18,19)