(3R,4R,5S)-4-acetamido-5-azanyl-3-(1,7-diphenylheptan-4-yloxy)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(1,7-diphenylheptan-4-yloxy)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[4-phenyl-1-(3-phenylpropyl)butoxy]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1,7-diphenylheptan-4-yloxy)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1,7-diphenylheptan-4-yloxy)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[4-phenyl-1-(3-phenylpropyl)butoxy]cyclohexene-1-carboxylic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1OC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CC(=C[C@H]1OC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C28H36N2O4/c1-20(31)30-27-25(29)18-23(28(32)33)19-26(27)34-24(16-8-14-21-10-4-2-5-11-21)17-9-15-22-12-6-3-7-13-22/h2-7,10-13,19,24-27H,8-9,14-18,29H2,1H3,(H,30,31)(H,32,33)/t25-,26+,27+/m0/s1