(3S)-3-[[(2S)-3-methyl-1-(methylamino)-1-sulfanylidene-butan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: (3S)-3-[[(2S)-3-methyl-1-(methylamino)-1-sulfanylidene-butan-2-yl]carbamoyl]hexanoic acid Openeye Name: (3S)-3-[[(1S)-2-methyl-1-(methylcarbamothioyl)propyl]carbamoyl]hexanoic acid CAS Name: (3S)-3-[[[(2S)-3-methyl-1-(methylamino)-1-sulfanylidenebutan-2-yl]amino]-oxomethyl]hexanoic acid IUPAC Name: (3S)-3-[[(2S)-3-methyl-1-(methylamino)-1-sulfanylidenebutan-2-yl]carbamoyl]hexanoic acid Traditional Name: (3S)-3-[[(1S)-2-methyl-1-(methylthiocarbamoyl)propyl]carbamoyl]hexanoic acid Formula: C13H24N2O3S MolecularWeight: 288.40626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)C(=O)NC(C(C)C)C(=S)NC

Isomeric SMILES

CCC[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=S)NC

InChI

InChI=1S/C13H24N2O3S/c1-5-6-9(7-10(16)17)12(18)15-11(8(2)3)13(19)14-4/h8-9,11H,5-7H2,1-4H3,(H,14,19)(H,15,18)(H,16,17)/t9-,11-/m0/s1