4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]imidazolidin-1-yl]butylsulfanylmethylphosphonic acid

Systemtic Name: 4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]imidazolidin-1-yl]butylsulfanylmethylphosphonic acid Openeye Name: 4-[(5S)-5-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-oxo-imidazolidin-1-yl]butylsulfanylmethylphosphonic acid CAS Name: [4-[(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxo-1-imidazolidinyl]butylthio]methylphosphonic acid IUPAC Name: 4-[(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]butylsulfanylmethylphosphonic acid Traditional Name: [4-[(5S)-5-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-keto-imidazolidin-1-yl]butylthio]methylphosphonic acid Formula: C18H27N2O5PS MolecularWeight: 414.456141

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)N1)CCCCSCP(=O)(O)O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

C1[C@@H](N(C(=O)N1)CCCCSCP(=O)(O)O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C18H27N2O5PS/c21-17(12-15-6-2-1-3-7-15)9-8-16-13-19-18(22)20(16)10-4-5-11-27-14-26(23,24)25/h1-3,6-9,16-17,21H,4-5,10-14H2,(H,19,22)(H2,23,24,25)/b9-8+/t16-,17?/m0/s1