2-benzamido-3-dodecylsulfanyl-propanoic acid

Systemtic Name: 2-benzamido-3-dodecylsulfanyl-propanoic acid Openeye Name: 2-benzamido-3-dodecylsulfanyl-propanoic acid CAS Name: 2-benzamido-3-(dodecylthio)propanoic acid IUPAC Name: 2-benzamido-3-dodecylsulfanylpropanoic acid Traditional Name: 2-benzamido-3-(laurylthio)propionic acid Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H35NO3S/c1-2-3-4-5-6-7-8-9-10-14-17-27-18-20(22(25)26)23-21(24)19-15-12-11-13-16-19/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,23,24)(H,25,26)