[(2R,3S)-3-azanyl-4-[(4-octylphenyl)amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate

Systemtic Name: [(2R,3S)-3-azanyl-4-[(4-octylphenyl)amino]-4-oxidanylidene-butan-2-yl] dihydrogen phosphate Openeye Name: [(1R,2S)-2-amino-1-methyl-3-(4-octylanilino)-3-oxo-propyl] dihydrogen phosphate CAS Name: [(2R,3S)-3-amino-4-(4-octylanilino)-4-oxobutan-2-yl] dihydrogen phosphate IUPAC Name: [(2R,3S)-3-amino-4-(4-octylanilino)-4-oxobutan-2-yl] dihydrogen phosphate Traditional Name: [(1R,2S)-2-amino-3-keto-1-methyl-3-(4-octylanilino)propyl] dihydrogen phosphate Formula: C18H31N2O5P MolecularWeight: 386.422901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=O)C(C(C)OP(=O)(O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=O)[C@H]([C@@H](C)OP(=O)(O)O)N

InChI

InChI=1S/C18H31N2O5P/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-18(21)17(19)14(2)25-26(22,23)24/h10-14,17H,3-9,19H2,1-2H3,(H,20,21)(H2,22,23,24)/t14-,17+/m1/s1