2-[[(1R,5S)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl]oxycarbonylamino]ethanoic acid

Systemtic Name: 2-[[(1R,5S)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl]oxycarbonylamino]ethanoic acid Openeye Name: 2-[[(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl]oxycarbonylamino]acetic acid CAS Name: 2-[[[(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl]oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(1R,5S)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl]oxycarbonylamino]acetic acid Traditional Name: 2-[[(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl]oxycarbonylamino]acetic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)OC(=O)NCC(=O)O)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1O)OC(=O)NCC(=O)O)C#C

InChI

InChI=1S/C12H15NO5/c1-3-8-4-9(5-10(14)7(8)2)18-12(17)13-6-11(15)16/h1,9-10,14H,4-6H2,2H3,(H,13,17)(H,15,16)/t9-,10+/m1/s1