3-azanyl-4-[[1-methoxy-1-oxidanylidene-3-(thiophen-2-ylmethoxy)propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-methoxy-1-oxidanylidene-3-(thiophen-2-ylmethoxy)propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(2-thienylmethoxymethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-methoxy-1-oxo-3-(thiophen-2-ylmethoxy)propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-methoxy-1-oxo-3-(thiophen-2-ylmethoxy)propan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-2-methoxy-1-(2-thenyloxymethyl)ethyl]amino]butyric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COCC1=CC=CS1)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)C(COCC1=CC=CS1)NC(=O)C(CC(=O)O)N

InChI

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