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

Systemtic Name: 4-[(5S)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]-3-(phenylmethyl)imidazolidin-1-yl]butylsulfanylmethylphosphonic acid Openeye Name: 4-[(5S)-3-benzyl-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-3-(phenylmethyl)-1-imidazolidinyl]butylthio]methylphosphonic acid IUPAC Name: 4-[(5S)-3-benzyl-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-2-oxoimidazolidin-1-yl]butylsulfanylmethylphosphonic acid Traditional Name: [4-[(5S)-3-benzyl-5-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-keto-imidazolidin-1-yl]butylthio]methylphosphonic acid Formula: C25H33N2O5PS MolecularWeight: 504.578681

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)N1CC2=CC=CC=C2)CCCCSCP(=O)(O)O)C=CC(CC3=CC=CC=C3)O

Isomeric SMILES

C1[C@@H](N(C(=O)N1CC2=CC=CC=C2)CCCCSCP(=O)(O)O)/C=C/C(CC3=CC=CC=C3)O

InChI

InChI=1S/C25H33N2O5PS/c28-24(17-21-9-3-1-4-10-21)14-13-23-19-26(18-22-11-5-2-6-12-22)25(29)27(23)15-7-8-16-34-20-33(30,31)32/h1-6,9-14,23-24,28H,7-8,15-20H2,(H2,30,31,32)/b14-13+/t23-,24?/m0/s1