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

Systemtic Name: 4-[(5S)-3-methyl-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]-3-methyl-2-oxo-imidazolidin-1-yl]butylsulfanylmethylphosphonic acid CAS Name: [4-[(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-3-methyl-2-oxo-1-imidazolidinyl]butylthio]methylphosphonic acid IUPAC Name: 4-[(5S)-5-[(E)-3-hydroxy-4-phenylbut-1-enyl]-3-methyl-2-oxoimidazolidin-1-yl]butylsulfanylmethylphosphonic acid Traditional Name: [4-[(5S)-5-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-2-keto-3-methyl-imidazolidin-1-yl]butylthio]methylphosphonic acid Formula: C19H29N2O5PS MolecularWeight: 428.482721

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(N(C1=O)CCCCSCP(=O)(O)O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

CN1C[C@@H](N(C1=O)CCCCSCP(=O)(O)O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C19H29N2O5PS/c1-20-14-17(9-10-18(22)13-16-7-3-2-4-8-16)21(19(20)23)11-5-6-12-28-15-27(24,25)26/h2-4,7-10,17-18,22H,5-6,11-15H2,1H3,(H2,24,25,26)/b10-9+/t17-,18?/m0/s1