2-cyclopropyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]propanoic acid

Systemtic Name: 2-cyclopropyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]propanoic acid Openeye Name: 2-cyclopropyl-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]propanoic acid CAS Name: 2-cyclopropyl-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoic acid Traditional Name: 2-cyclopropyl-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-11-4-3-5-12(8-11)9-21-10-14(18)17-16(2,15(19)20)13-6-7-13/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,17,18)(H,19,20)