2-[[(4E)-5,9-dimethyl-2-oxidanylidene-deca-4,8-dien-3-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(4E)-5,9-dimethyl-2-oxidanylidene-deca-4,8-dien-3-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(2E)-1-acetyl-3,7-dimethyl-octa-2,6-dienyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(4E)-5,9-dimethyl-2-oxodeca-4,8-dien-3-yl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(4E)-5,9-dimethyl-2-oxodeca-4,8-dien-3-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(2E)-1-acetyl-3,7-dimethyl-octa-2,6-dienyl]amino]-3-mercapto-propionic acid Formula: C15H25NO3S MolecularWeight: 299.4289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO3S/c1-10(2)6-5-7-11(3)8-13(12(4)17)16-14(9-20)15(18)19/h6,8,13-14,16,20H,5,7,9H2,1-4H3,(H,18,19)/b11-8+