(3R,4R,5S)-4-acetamido-5-azanyl-3-(1,3-diphenylpropan-2-yloxy)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(1,3-diphenylpropan-2-yloxy)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-benzyl-2-phenyl-ethoxy)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1,3-diphenylpropan-2-yloxy)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1,3-diphenylpropan-2-yloxy)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-benzyl-2-phenyl-ethoxy)cyclohexene-1-carboxylic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1OC(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1OC(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C24H28N2O4/c1-16(27)26-23-21(25)14-19(24(28)29)15-22(23)30-20(12-17-8-4-2-5-9-17)13-18-10-6-3-7-11-18/h2-11,15,20-23H,12-14,25H2,1H3,(H,26,27)(H,28,29)/t21-,22+,23+/m0/s1