3-azanyl-4-[furan-2-ylmethyl-(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[furan-2-ylmethyl-(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-furylmethyl-[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-furanylmethyl-(3-mercapto-1-methoxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[furan-2-ylmethyl-(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-furfuryl-[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)N(CC1=CC=CO1)C(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)C(CS)N(CC1=CC=CO1)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C13H18N2O6S/c1-20-13(19)10(7-22)15(6-8-3-2-4-21-8)12(18)9(14)5-11(16)17/h2-4,9-10,22H,5-7,14H2,1H3,(H,16,17)