[(2S)-2-azanyl-2-methyl-3-[(4-octoxyphenyl)amino]-3-oxidanylidene-propyl] dihydrogen phosphate

Systemtic Name: [(2S)-2-azanyl-2-methyl-3-[(4-octoxyphenyl)amino]-3-oxidanylidene-propyl] dihydrogen phosphate Openeye Name: [(2S)-2-amino-2-methyl-3-(4-octoxyanilino)-3-oxo-propyl] dihydrogen phosphate CAS Name: [(2S)-2-amino-2-methyl-3-(4-octoxyanilino)-3-oxopropyl] dihydrogen phosphate IUPAC Name: [(2S)-2-amino-2-methyl-3-(4-octoxyanilino)-3-oxopropyl] dihydrogen phosphate Traditional Name: [(2S)-2-amino-3-keto-2-methyl-3-(4-octoxyanilino)propyl] dihydrogen phosphate Formula: C18H31N2O6P MolecularWeight: 402.422301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC(=O)C(C)(COP(=O)(O)O)N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC(=O)[C@](C)(COP(=O)(O)O)N

InChI

InChI=1S/C18H31N2O6P/c1-3-4-5-6-7-8-13-25-16-11-9-15(10-12-16)20-17(21)18(2,19)14-26-27(22,23)24/h9-12H,3-8,13-14,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t18-/m0/s1