(2S)-3-phenyl-2-[[4-[(tetradecanoylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[4-[(tetradecanoylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[4-[(1-oxotetradecylamino)methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[4-[(tetradecanoylamino)methyl]benzoyl]amino]propionic acid Formula: C31H44N2O4 MolecularWeight: 508.69206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C31H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-29(34)32-24-26-19-21-27(22-20-26)30(35)33-28(31(36)37)23-25-16-13-12-14-17-25/h12-14,16-17,19-22,28H,2-11,15,18,23-24H2,1H3,(H,32,34)(H,33,35)(H,36,37)/t28-/m0/s1