(2S)-3-methyl-2-(4-thiophen-2-ylbutanoylamino)butanoate

Systemtic Name: (2S)-3-methyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Openeye Name: (2S)-3-methyl-2-[4-(2-thienyl)butanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]butanoate IUPAC Name: (2S)-3-methyl-2-(4-thiophen-2-ylbutanoylamino)butanoate Traditional Name: (2S)-3-methyl-2-[4-(2-thienyl)butanoylamino]butyrate Formula: C13H18NO3S- MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCCC1=CC=CS1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCCC1=CC=CS1

InChI

InChI=1S/C13H19NO3S/c1-9(2)12(13(16)17)14-11(15)7-3-5-10-6-4-8-18-10/h4,6,8-9,12H,3,5,7H2,1-2H3,(H,14,15)(H,16,17)/p-1/t12-/m0/s1