11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoic acid

Systemtic Name: 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoic acid Openeye Name: 11-[[(2S)-2-(dodecanoylamino)-3-phenyl-propanoyl]amino]undecanoic acid CAS Name: 11-[[(2S)-1-oxo-2-(1-oxododecylamino)-3-phenylpropyl]amino]undecanoic acid IUPAC Name: 11-[[(2S)-2-(dodecanoylamino)-3-phenylpropanoyl]amino]undecanoic acid Traditional Name: 11-[[(2S)-2-(lauroylamino)-3-phenyl-propanoyl]amino]undecanoic acid Formula: C32H54N2O4 MolecularWeight: 530.78216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCCCCCCCCC(=O)O

InChI

InChI=1S/C32H54N2O4/c1-2-3-4-5-6-7-10-13-19-24-30(35)34-29(27-28-22-17-16-18-23-28)32(38)33-26-21-15-12-9-8-11-14-20-25-31(36)37/h16-18,22-23,29H,2-15,19-21,24-27H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t29-/m0/s1