heptadecyl (2S)-2-[(4-fluorophenyl)carbonylamino]propanoate

Systemtic Name: heptadecyl (2S)-2-[(4-fluorophenyl)carbonylamino]propanoate Openeye Name: heptadecyl (2S)-2-[(4-fluorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]propanoic acid heptadecyl ester IUPAC Name: heptadecyl (2S)-2-[(4-fluorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]propionic acid heptadecyl ester Formula: C27H44FNO3 MolecularWeight: 449.641563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C27H44FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(31)23(2)29-26(30)24-18-20-25(28)21-19-24/h18-21,23H,3-17,22H2,1-2H3,(H,29,30)/t23-/m0/s1