[(3S)-3-azanyl-5-(3-methoxy-5-methyl-4-octoxy-phenyl)-1-oxidanyl-pentyl]phosphonic acid

Systemtic Name: [(3S)-3-azanyl-5-(3-methoxy-5-methyl-4-octoxy-phenyl)-1-oxidanyl-pentyl]phosphonic acid Openeye Name: [(3S)-3-amino-1-hydroxy-5-(3-methoxy-5-methyl-4-octoxy-phenyl)pentyl]phosphonic acid CAS Name: [(3S)-3-amino-1-hydroxy-5-(3-methoxy-5-methyl-4-octoxyphenyl)pentyl]phosphonic acid IUPAC Name: [(3S)-3-amino-1-hydroxy-5-(3-methoxy-5-methyl-4-octoxyphenyl)pentyl]phosphonic acid Traditional Name: [(3S)-3-amino-1-hydroxy-5-(3-methoxy-5-methyl-4-octoxy-phenyl)pentyl]phosphonic acid Formula: C21H38NO6P MolecularWeight: 431.503281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1OC)CCC(CC(O)P(=O)(O)O)N)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1OC)CC[C@@H](CC(O)P(=O)(O)O)N)C

InChI

InChI=1S/C21H38NO6P/c1-4-5-6-7-8-9-12-28-21-16(2)13-17(14-19(21)27-3)10-11-18(22)15-20(23)29(24,25)26/h13-14,18,20,23H,4-12,15,22H2,1-3H3,(H2,24,25,26)/t18-,20?/m0/s1