(2R)-2-[[(2S)-heptan-2-yl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[(2S)-heptan-2-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[(1S)-1-methylhexyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[[(2S)-heptan-2-yl]amino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(2S)-heptan-2-yl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(1S)-1-methylhexyl]carbamoylamino]-4-(methylthio)butyrate Formula: C13H25N2O3S- MolecularWeight: 289.4142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCCC[C@H](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)/p-1/t10-,11+/m0/s1