3-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-4-methyl-pentanoyl]amino]propanoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-4-methyl-pentanoyl]amino]propanoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-4-methylpentanoyl]amino]propanoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-4-methyl-pentanoyl]amino]propionic acid Formula: C12H21NO4S MolecularWeight: 275.36444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)CC(CSC(=O)C)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H21NO4S/c1-8(2)6-10(7-18-9(3)14)12(17)13-5-4-11(15)16/h8,10H,4-7H2,1-3H3,(H,13,17)(H,15,16)