2-azanyl-3-[(2E,6E)-3,7-dimethyl-8-phenylazanyl-octa-2,6-dienyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(2E,6E)-3,7-dimethyl-8-phenylazanyl-octa-2,6-dienyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(2E,6E)-8-anilino-3,7-dimethyl-octa-2,6-dienyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dienyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(2E,6E)-8-anilino-3,7-dimethylocta-2,6-dienyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(2E,6E)-8-anilino-3,7-dimethyl-octa-2,6-dienyl]thio]propionic acid Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSCC(C(=O)O)N)CCC=C(C)CNC1=CC=CC=C1

Isomeric SMILES

C/C(=C\CSCC(C(=O)O)N)/CC/C=C(\C)/CNC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O2S/c1-15(11-12-24-14-18(20)19(22)23)7-6-8-16(2)13-21-17-9-4-3-5-10-17/h3-5,8-11,18,21H,6-7,12-14,20H2,1-2H3,(H,22,23)/b15-11+,16-8+