3-(phenylmethylsulfanyl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid

Systemtic Name: 3-(phenylmethylsulfanyl)-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[(2-mesitylacetyl)amino]propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CC(=O)NC(CSCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CC(=O)NC(CSCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C21H25NO3S/c1-14-9-15(2)18(16(3)10-14)11-20(23)22-19(21(24)25)13-26-12-17-7-5-4-6-8-17/h4-10,19H,11-13H2,1-3H3,(H,22,23)(H,24,25)