2-[[2-(ethanoylsulfanylmethyl)-3-methyl-hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-methyl-hexanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-methyl-hexanoyl]amino]acetic acid CAS Name: 2-[[2-[(acetylthio)methyl]-3-methyl-1-oxohexyl]amino]acetic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-methylhexanoyl]amino]acetic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-methyl-hexanoyl]amino]acetic acid Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(CSC(=O)C)C(=O)NCC(=O)O

Isomeric SMILES

CCCC(C)C(CSC(=O)C)C(=O)NCC(=O)O

InChI

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