2-[2-[2-[2-(2-phosphonoethylsulfanylmethyl)prop-2-enoylamino]ethylcarbamoyl]prop-2-enylsulfanyl]ethylphosphonic acid

Systemtic Name: 2-[2-[2-[2-(2-phosphonoethylsulfanylmethyl)prop-2-enoylamino]ethylcarbamoyl]prop-2-enylsulfanyl]ethylphosphonic acid Openeye Name: 2-[2-[2-[2-(2-phosphonoethylsulfanylmethyl)prop-2-enoylamino]ethylcarbamoyl]allylsulfanyl]ethylphosphonic acid CAS Name: 2-[2-[oxo-[2-[[1-oxo-2-[(2-phosphonoethylthio)methyl]prop-2-enyl]amino]ethylamino]methyl]prop-2-enylthio]ethylphosphonic acid IUPAC Name: 2-[2-[2-[2-(2-phosphonoethylsulfanylmethyl)prop-2-enoylamino]ethylcarbamoyl]prop-2-enylsulfanyl]ethylphosphonic acid Traditional Name: 2-[2-[2-[[2-[(2-phosphonoethylthio)methyl]acryloyl]amino]ethylcarbamoyl]allylthio]ethylphosphonic acid Formula: C14H26N2O8P2S2 MolecularWeight: 476.442362

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSCCP(=O)(O)O)C(=O)NCCNC(=O)C(=C)CSCCP(=O)(O)O

Isomeric SMILES

C=C(CSCCP(=O)(O)O)C(=O)NCCNC(=O)C(=C)CSCCP(=O)(O)O

InChI

InChI=1S/C14H26N2O8P2S2/c1-11(9-27-7-5-25(19,20)21)13(17)15-3-4-16-14(18)12(2)10-28-8-6-26(22,23)24/h1-10H2,(H,15,17)(H,16,18)(H2,19,20,21)(H2,22,23,24)