2-cyclopropyl-2-(2-phenethylsulfanylethanoylamino)propanoic acid

Systemtic Name: 2-cyclopropyl-2-(2-phenethylsulfanylethanoylamino)propanoic acid Openeye Name: 2-cyclopropyl-2-[(2-phenethylsulfanylacetyl)amino]propanoic acid CAS Name: 2-cyclopropyl-2-[[1-oxo-2-(phenethylthio)ethyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[(2-phenethylsulfanylacetyl)amino]propanoic acid Traditional Name: 2-cyclopropyl-2-[[2-(phenethylthio)acetyl]amino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)CSCCC2=CC=CC=C2

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)CSCCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c1-16(15(19)20,13-7-8-13)17-14(18)11-21-10-9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,18)(H,19,20)