(2S)-6-azanyl-2-[[3,5-bis(octadecanoylamino)phenyl]carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[3,5-bis(octadecanoylamino)phenyl]carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[3,5-bis(octadecanoylamino)benzoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[3,5-bis(1-oxooctadecylamino)phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[3,5-bis(octadecanoylamino)benzoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[(3,5-distearamidobenzoyl)amino]hexanoic acid Formula: C49H88N4O5 MolecularWeight: 813.24682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NC(CCCCN)C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H88N4O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-46(54)51-43-39-42(48(56)53-45(49(57)58)35-33-34-38-50)40-44(41-43)52-47(55)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-41,45H,3-38,50H2,1-2H3,(H,51,54)(H,52,55)(H,53,56)(H,57,58)/t45-/m0/s1