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

Systemtic Name: 2-[[(5S)-5-(hydroxymethyl)-2-methoxy-5-oxidanyl-3-oxidanylidene-cyclohexen-1-yl]amino]ethanoic acid Openeye Name: 2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-cyclohexen-1-yl]amino]acetic acid CAS Name: 2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxo-1-cyclohexenyl]amino]acetic acid IUPAC Name: 2-[[(5S)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]acetic acid Traditional Name: 2-[[(5S)-5-hydroxy-3-keto-2-methoxy-5-methylol-cyclohexen-1-yl]amino]acetic acid Formula: C10H15NO6 MolecularWeight: 245.2292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(CC(CC1=O)(CO)O)NCC(=O)O

Isomeric SMILES

COC1=C(C[C@](CC1=O)(CO)O)NCC(=O)O

InChI

InChI=1S/C10H15NO6/c1-17-9-6(11-4-8(14)15)2-10(16,5-12)3-7(9)13/h11-12,16H,2-5H2,1H3,(H,14,15)/t10-/m0/s1