methanesulfonate; octadecyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: methanesulfonate; octadecyl 2-azanyl-3-phenyl-propanoate Openeye Name: methanesulfonate; octadecyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid octadecyl ester; methanesulfonate IUPAC Name: methanesulfonate; octadecyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid stearyl ester mesylate Formula: C28H50NO5S- MolecularWeight: 512.7653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H47NO2.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(29)26(28)24-25-21-18-17-19-22-25;1-5(2,3)4/h17-19,21-22,26H,2-16,20,23-24,28H2,1H3;1H3,(H,2,3,4)/p-1