(2S)-2-(octadecylamino)butanedioic acid; 2-sulfobutanedioic acid

Systemtic Name: (2S)-2-(octadecylamino)butanedioic acid; 2-sulfobutanedioic acid Openeye Name: (2S)-2-(octadecylamino)butanedioic acid; 2-sulfobutanedioic acid CAS Name: (2S)-2-(octadecylamino)butanedioic acid; 2-sulfobutanedioic acid IUPAC Name: (2S)-2-(octadecylamino)butanedioic acid; 2-sulfobutanedioic acid Traditional Name: (2S)-2-(stearylamino)succinic acid; 2-sulfosuccinic acid Formula: C26H49NO11S MolecularWeight: 583.73236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(CC(=O)O)C(=O)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)O)C(=O)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C22H43NO4.C4H6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22(26)27)19-21(24)25;5-3(6)1-2(4(7)8)12(9,10)11/h20,23H,2-19H2,1H3,(H,24,25)(H,26,27);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/t20-;/m0./s1