(E)-2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)icos-11-enoic acid

Systemtic Name: (E)-2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)icos-11-enoic acid Openeye Name: (E)-2-amino-3-oxo-2-(sulfanylmethyl)icos-11-enoic acid CAS Name: (E)-2-amino-2-(mercaptomethyl)-3-oxo-11-eicosenoic acid IUPAC Name: (E)-2-amino-3-oxo-2-(sulfanylmethyl)icos-11-enoic acid Traditional Name: (E)-2-amino-3-keto-2-(mercaptomethyl)eicos-11-enoic acid Formula: C21H39NO3S MolecularWeight: 385.60426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CS)(C(=O)O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(CS)(C(=O)O)N

InChI

InChI=1S/C21H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)21(22,18-26)20(24)25/h9-10,26H,2-8,11-18,22H2,1H3,(H,24,25)/b10-9+