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

Systemtic Name: [(2S)-2-azanyl-3-[(4-octylphenyl)amino]-3-oxidanylidene-propyl] dihydrogen phosphate Openeye Name: [(2S)-2-amino-3-(4-octylanilino)-3-oxo-propyl] dihydrogen phosphate CAS Name: [(2S)-2-amino-3-(4-octylanilino)-3-oxopropyl] dihydrogen phosphate IUPAC Name: [(2S)-2-amino-3-(4-octylanilino)-3-oxopropyl] dihydrogen phosphate Traditional Name: [(2S)-2-amino-3-keto-3-(4-octylanilino)propyl] dihydrogen phosphate Formula: C17H29N2O5P MolecularWeight: 372.396321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-17(20)16(18)13-24-25(21,22)23/h9-12,16H,2-8,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m0/s1