(2R)-2-(heptan-2-ylcarbamoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-(heptan-2-ylcarbamoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-(1-methylhexylcarbamoylamino)-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[(heptan-2-ylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-(heptan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-(1-methylhexylcarbamoylamino)-4-(methylthio)butyric acid Formula: C13H26N2O3S MolecularWeight: 290.42214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C13H26N2O3S/c1-4-5-6-7-10(2)14-13(18)15-11(12(16)17)8-9-19-3/h10-11H,4-9H2,1-3H3,(H,16,17)(H2,14,15,18)/t10?,11-/m1/s1