2-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)propanoic acid

Systemtic Name: 2-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)propanoic acid Openeye Name: 2-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)propanoic acid CAS Name: 2-cyclopropyl-2-[[1-oxo-4-(phenylthio)butyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-(4-phenylsulfanylbutanoylamino)propanoic acid Traditional Name: 2-cyclopropyl-2-[4-(phenylthio)butanoylamino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)CCCSC2=CC=CC=C2

InChI

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