2-cyclopropyl-2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 2-cyclopropyl-2-[2-(2,5-dimethylphenyl)sulfanylethanoylamino]propanoic acid Openeye Name: 2-cyclopropyl-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanoic acid CAS Name: 2-cyclopropyl-2-[[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanoic acid Traditional Name: 2-cyclopropyl-2-[[2-[(2,5-dimethylphenyl)thio]acetyl]amino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC(C)(C2CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC(C)(C2CC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-4-5-11(2)13(8-10)21-9-14(18)17-16(3,15(19)20)12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,18)(H,19,20)