1,6-bis(azanyl)-3-(octadecylcarbamoyl)-1-oxidanylidene-hexane-3-sulfonic acid

Systemtic Name: 1,6-bis(azanyl)-3-(octadecylcarbamoyl)-1-oxidanylidene-hexane-3-sulfonic acid Openeye Name: 1,6-diamino-3-(octadecylcarbamoyl)-1-oxo-hexane-3-sulfonic acid CAS Name: 1,6-diamino-3-[(octadecylamino)-oxomethyl]-1-oxo-3-hexanesulfonic acid IUPAC Name: 1,6-diamino-3-(octadecylcarbamoyl)-1-oxohexane-3-sulfonic acid Traditional Name: 1,6-diamino-1-keto-3-(stearylcarbamoyl)hexane-3-sulfonic acid Formula: C25H51N3O5S MolecularWeight: 505.75454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CCCN)(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CCCN)(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C25H51N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-24(30)25(19-18-20-26,22-23(27)29)34(31,32)33/h2-22,26H2,1H3,(H2,27,29)(H,28,30)(H,31,32,33)