4-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-(2-thienylmethylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(2-thenylthio)acetyl]amino]valeric acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CSCC1=CC=CS1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSCC1=CC=CS1

InChI

InChI=1S/C13H19NO3S2/c1-9(2)6-11(13(16)17)14-12(15)8-18-7-10-4-3-5-19-10/h3-5,9,11H,6-8H2,1-2H3,(H,14,15)(H,16,17)