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

Systemtic Name: methyl (2S)-2-[[(2S)-heptan-2-yl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(1S)-1-methylhexyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[[(2S)-heptan-2-yl]amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-heptan-2-yl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(1S)-1-methylhexyl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C14H28N2O3S MolecularWeight: 304.44872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2O3S/c1-5-6-7-8-11(2)15-14(18)16-12(9-10-20-4)13(17)19-3/h11-12H,5-10H2,1-4H3,(H2,15,16,18)/t11-,12-/m0/s1