4-[[5-(hydroxymethyl)-2-methoxy-5-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]amino]-5-oxidanyl-pentanoic acid

Systemtic Name: 4-[[5-(hydroxymethyl)-2-methoxy-5-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]amino]-5-oxidanyl-pentanoic acid Openeye Name: 5-hydroxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-cyclohexen-1-yl]amino]pentanoic acid CAS Name: 5-hydroxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexenyl]amino]pentanoic acid IUPAC Name: 5-hydroxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid Traditional Name: 5-hydroxy-4-[(5-hydroxy-3-keto-2-methoxy-5-methylol-cyclohexen-1-yl)amino]valeric acid Formula: C13H21NO7 MolecularWeight: 303.30834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)O)CO

Isomeric SMILES

COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)O)CO

InChI

InChI=1S/C13H21NO7/c1-21-12-9(4-13(20,7-16)5-10(12)17)14-8(6-15)2-3-11(18)19/h8,14-16,20H,2-7H2,1H3,(H,18,19)