2-acetamido-3-(6-dodec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(6-dodec-1-ynylpyridin-2-yl)-3-oxidanyl-propanoic acid Openeye Name: 2-acetamido-3-(6-dodec-1-ynyl-2-pyridyl)-3-hydroxy-propanoic acid CAS Name: 2-acetamido-3-(6-dodec-1-ynyl-2-pyridinyl)-3-hydroxypropanoic acid IUPAC Name: 2-acetamido-3-(6-dodec-1-ynylpyridin-2-yl)-3-hydroxypropanoic acid Traditional Name: 2-acetamido-3-(6-dodec-1-ynyl-2-pyridyl)-3-hydroxy-propionic acid Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=NC(=CC=C1)C(C(C(=O)O)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=NC(=CC=C1)C(C(C(=O)O)NC(=O)C)O

InChI

InChI=1S/C22H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(24-18)21(26)20(22(27)28)23-17(2)25/h13,15-16,20-21,26H,3-11H2,1-2H3,(H,23,25)(H,27,28)