[(2S)-2-azanyl-2-methyl-3-oxidanylidene-3-[[4-(5-phenylpentoxy)phenyl]amino]propyl] dihydrogen phosphate

Systemtic Name: [(2S)-2-azanyl-2-methyl-3-oxidanylidene-3-[[4-(5-phenylpentoxy)phenyl]amino]propyl] dihydrogen phosphate Openeye Name: [(2S)-2-amino-2-methyl-3-oxo-3-[4-(5-phenylpentoxy)anilino]propyl] dihydrogen phosphate CAS Name: [(2S)-2-amino-2-methyl-3-oxo-3-[4-(5-phenylpentoxy)anilino]propyl] dihydrogen phosphate IUPAC Name: [(2S)-2-amino-2-methyl-3-oxo-3-[4-(5-phenylpentoxy)anilino]propyl] dihydrogen phosphate Traditional Name: [(2S)-2-amino-3-keto-2-methyl-3-[4-(5-phenylpentoxy)anilino]propyl] dihydrogen phosphate Formula: C21H29N2O6P MolecularWeight: 436.438521

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Descriptors Computed from Structure

Canonical SMILES:

CC(COP(=O)(O)O)(C(=O)NC1=CC=C(C=C1)OCCCCCC2=CC=CC=C2)N

Isomeric SMILES

C[C@](COP(=O)(O)O)(C(=O)NC1=CC=C(C=C1)OCCCCCC2=CC=CC=C2)N

InChI

InChI=1S/C21H29N2O6P/c1-21(22,16-29-30(25,26)27)20(24)23-18-11-13-19(14-12-18)28-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15-16,22H2,1H3,(H,23,24)(H2,25,26,27)/t21-/m0/s1