(2S)-2-[octadecyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[octadecyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]-octadecyl-amino]butanedioic acid CAS Name: (2S)-2-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]-octadecylamino]butanedioic acid IUPAC Name: (2S)-2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]-octadecylamino]butanedioic acid Traditional Name: (2S)-2-[[(E)-4-hydroxy-4-keto-but-2-enoyl]-stearyl-amino]succinic acid Formula: C26H45NO7 MolecularWeight: 483.638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)O)C(=O)O)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C26H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(28)18-19-24(29)30)22(26(33)34)21-25(31)32/h18-19,22H,2-17,20-21H2,1H3,(H,29,30)(H,31,32)(H,33,34)/b19-18+/t22-/m0/s1