methyl (2S)-2-[2-(furan-2-ylcarbonylamino)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(furan-2-ylcarbonylamino)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(furan-2-carbonylamino)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[2-furanyl(oxo)methyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(furan-2-carbonylamino)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-furoylamino)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC=CO1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=CC=CO1

InChI

InChI=1S/C13H18N2O5S/c1-19-13(18)9(5-7-21-2)15-11(16)8-14-12(17)10-4-3-6-20-10/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,17)(H,15,16)/t9-/m0/s1