5-azanyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[5-[(methylthio)methyl]-2-furoyl]amino]valeric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-20-6-7-2-4-9(19-7)11(16)14-8(12(17)18)3-5-10(13)15/h2,4,8H,3,5-6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)