(3S,4S,5R)-4-acetamido-3-azido-5-(phenylmethoxymethyl)cyclohexene-1-carboxylic acid

Systemtic Name: (3S,4S,5R)-4-acetamido-3-azido-5-(phenylmethoxymethyl)cyclohexene-1-carboxylic acid Openeye Name: (3S,4S,5R)-4-acetamido-3-azido-5-(benzyloxymethyl)cyclohexene-1-carboxylic acid CAS Name: (3S,4S,5R)-4-acetamido-3-azido-5-(phenylmethoxymethyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3S,4S,5R)-4-acetamido-3-azido-5-(phenylmethoxymethyl)cyclohexene-1-carboxylic acid Traditional Name: (3S,4S,5R)-4-acetamido-3-azido-5-(benzoxymethyl)cyclohexene-1-carboxylic acid Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1N=[N+]=[N-])C(=O)O)COCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H]1[C@@H](CC(=C[C@@H]1N=[N+]=[N-])C(=O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4/c1-11(22)19-16-14(10-25-9-12-5-3-2-4-6-12)7-13(17(23)24)8-15(16)20-21-18/h2-6,8,14-16H,7,9-10H2,1H3,(H,19,22)(H,23,24)/t14-,15-,16-/m0/s1