18-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]octadecanoic acid

Systemtic Name: 18-[[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]octadecanoic acid Openeye Name: 18-[[(1S)-5-amino-1-carboxy-pentyl]amino]octadecanoic acid CAS Name: 18-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]octadecanoic acid IUPAC Name: 18-[[(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]amino]octadecanoic acid Traditional Name: 18-[[(1S)-5-amino-1-carboxy-pentyl]amino]stearic acid Formula: C24H48N2O4 MolecularWeight: 428.64892

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)O)CCCCCCCCNC(CCCCN)C(=O)O

Isomeric SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCN[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C24H48N2O4/c25-20-16-15-18-22(24(29)30)26-21-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-23(27)28/h22,26H,1-21,25H2,(H,27,28)(H,29,30)/t22-/m0/s1