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

Systemtic Name: (2S,3S)-3-methyl-2-[[4-(tetradecanoylamino)phenyl]carbonylamino]pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-[[4-(tetradecanoylamino)benzoyl]amino]pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[[oxo-[4-(1-oxotetradecylamino)phenyl]methyl]amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-[[4-(tetradecanoylamino)benzoyl]amino]pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-[[4-(tetradecanoylamino)benzoyl]amino]valeric acid Formula: C27H44N2O4 MolecularWeight: 460.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O

InChI

InChI=1S/C27H44N2O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-24(30)28-23-19-17-22(18-20-23)26(31)29-25(27(32)33)21(3)5-2/h17-21,25H,4-16H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t21-,25-/m0/s1