2-[[(2E)-3,7-dimethylocta-2,6-dienoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(2E)-3,7-dimethylocta-2,6-dienoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(2E)-3,7-dimethylocta-2,6-dienoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(2E)-3,7-dimethyl-1-oxoocta-2,6-dienyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(2E)-3,7-dimethylocta-2,6-dienoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(2E)-3,7-dimethylocta-2,6-dienoyl]amino]-3-mercapto-propionic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3S/c1-9(2)5-4-6-10(3)7-12(15)14-11(8-18)13(16)17/h5,7,11,18H,4,6,8H2,1-3H3,(H,14,15)(H,16,17)/b10-7+