methyl (2S)-2-acetamido-3-[(1S,4S)-4-oxidanylcyclohex-2-en-1-yl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[(1S,4S)-4-oxidanylcyclohex-2-en-1-yl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[(1S,4S)-4-hydroxycyclohex-2-en-1-yl]propanoate CAS Name: (2S)-2-acetamido-3-[(1S,4S)-4-hydroxy-1-cyclohex-2-enyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[(1S,4S)-4-hydroxycyclohex-2-en-1-yl]propanoate Traditional Name: (2S)-2-acetamido-3-[(1S,4S)-4-hydroxycyclohex-2-en-1-yl]propionic acid methyl ester Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1CCC(C=C1)O)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](C[C@@H]1CC[C@@H](C=C1)O)C(=O)OC

InChI

InChI=1S/C12H19NO4/c1-8(14)13-11(12(16)17-2)7-9-3-5-10(15)6-4-9/h3,5,9-11,15H,4,6-7H2,1-2H3,(H,13,14)/t9-,10+,11-/m0/s1