sodium [(3R,5S)-1-octadecanoyl-5-(tetradecylcarbamoyl)pyrrolidin-3-yl] sulfate

Systemtic Name: sodium [(3R,5S)-1-octadecanoyl-5-(tetradecylcarbamoyl)pyrrolidin-3-yl] sulfate Openeye Name: sodium [(3R,5S)-1-octadecanoyl-5-(tetradecylcarbamoyl)pyrrolidin-3-yl] sulfate CAS Name: sodium [(3R,5S)-1-(1-oxooctadecyl)-5-[oxo-(tetradecylamino)methyl]-3-pyrrolidinyl] sulfate IUPAC Name: sodium [(3R,5S)-1-octadecanoyl-5-(tetradecylcarbamoyl)pyrrolidin-3-yl] sulfate Traditional Name: sodium [(3R,5S)-5-(myristylcarbamoyl)-1-stearoyl-pyrrolidin-3-yl] sulfate Formula: C37H71N2NaO6S MolecularWeight: 695.02421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CC(CC1C(=O)NCCCCCCCCCCCCCC)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)NCCCCCCCCCCCCCC)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C37H72N2O6S.Na/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-36(40)39-33-34(45-46(42,43)44)32-35(39)37(41)38-31-29-27-25-23-21-16-14-12-10-8-6-4-2;/h34-35H,3-33H2,1-2H3,(H,38,41)(H,42,43,44);/q;+1/p-1/t34-,35+;/m1./s1