4-[[(2R)-1-(octadecylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate; tetraethylazanium

Systemtic Name: 4-[[(2R)-1-(octadecylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate; tetraethylazanium Openeye Name: 4-[[(1R)-1-benzyl-2-(octadecylamino)-2-oxo-ethyl]amino]-4-oxo-butanoate; tetraethylammonium CAS Name: 4-[[(2R)-1-(octadecylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate; tetraethylammonium IUPAC Name: 4-[[(2R)-1-(octadecylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate; tetraethylazanium Traditional Name: 4-[[(1R)-1-benzyl-2-keto-2-(stearylamino)ethyl]amino]-4-keto-butyrate; tetraethylammonium Formula: C39H71N3O4 MolecularWeight: 645.99874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(=O)[O-].CC[N+](CC)(CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCC(=O)[O-].CC[N+](CC)(CC)CC

InChI

InChI=1S/C31H52N2O4.C8H20N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-32-31(37)28(26-27-21-18-17-19-22-27)33-29(34)23-24-30(35)36;1-5-9(6-2,7-3)8-4/h17-19,21-22,28H,2-16,20,23-26H2,1H3,(H,32,37)(H,33,34)(H,35,36);5-8H2,1-4H3/q;+1/p-1/t28-;/m1./s1