(2S)-3-phenyl-2-[2-[2-(tetradecanoylamino)ethanoylamino]ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[2-[2-(tetradecanoylamino)ethanoylamino]ethanoylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[2-[[2-(tetradecanoylamino)acetyl]amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[[1-oxo-2-(1-oxotetradecylamino)ethyl]amino]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[2-[[2-(tetradecanoylamino)acetyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[2-[[2-(tetradecanoylamino)acetyl]amino]acetyl]amino]propionic acid Formula: C27H43N3O5 MolecularWeight: 489.64742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C27H43N3O5/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(31)28-20-25(32)29-21-26(33)30-23(27(34)35)19-22-16-13-12-14-17-22/h12-14,16-17,23H,2-11,15,18-21H2,1H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/t23-/m0/s1