2-acetamido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-butanoic acid

Systemtic Name: 2-acetamido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-butanoic acid Openeye Name: 2-acetamido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-butanoic acid CAS Name: 2-acetamido-4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]butanoic acid IUPAC Name: 2-acetamido-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbutanoic acid Traditional Name: 2-acetamido-4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]butyric acid Formula: C21H35NO3S MolecularWeight: 381.5725

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSCCC(C(=O)O)NC(=O)C)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSCCC(C(=O)O)NC(=O)C)/C)/C)C

InChI

InChI=1S/C21H35NO3S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-14-26-15-13-20(21(24)25)22-19(5)23/h8,10,12,20H,6-7,9,11,13-15H2,1-5H3,(H,22,23)(H,24,25)/b17-10+,18-12+