(3R,4R,5S)-4-acetamido-5-azanyl-3-phenylmethoxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-phenylmethoxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-benzyloxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-phenylmethoxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-phenylmethoxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-benzoxy-cyclohexene-1-carboxylic acid Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1OCC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1OCC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C16H20N2O4/c1-10(19)18-15-13(17)7-12(16(20)21)8-14(15)22-9-11-5-3-2-4-6-11/h2-6,8,13-15H,7,9,17H2,1H3,(H,18,19)(H,20,21)/t13-,14+,15+/m0/s1