methyl (2S)-2-azanyl-3-[(1S)-3-bromanyl-4-oxidanyl-cyclohex-2-en-1-yl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[(1S)-3-bromanyl-4-oxidanyl-cyclohex-2-en-1-yl]propanoate Openeye Name: methyl (2S)-2-amino-3-[(1S)-3-bromo-4-hydroxy-cyclohex-2-en-1-yl]propanoate CAS Name: (2S)-2-amino-3-[(1S)-3-bromo-4-hydroxy-1-cyclohex-2-enyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[(1S)-3-bromo-4-hydroxycyclohex-2-en-1-yl]propanoate Traditional Name: (2S)-2-amino-3-[(1S)-3-bromo-4-hydroxy-cyclohex-2-en-1-yl]propionic acid methyl ester Formula: C10H16BrNO3 MolecularWeight: 278.14294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCC(C(=C1)Br)O)N

Isomeric SMILES

COC(=O)[C@H](C[C@@H]1CCC(C(=C1)Br)O)N

InChI

InChI=1S/C10H16BrNO3/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6/h4,6,8-9,13H,2-3,5,12H2,1H3/t6-,8+,9?/m1/s1