(E,2R,3R)-2-[(3-cyanophenyl)methyl]-3-[(4-cyclohexylcyclohexyl)carbonylamino]-5-phenyl-pent-4-enoic acid

Systemtic Name: (E,2R,3R)-2-[(3-cyanophenyl)methyl]-3-[(4-cyclohexylcyclohexyl)carbonylamino]-5-phenyl-pent-4-enoic acid Openeye Name: (E,2R,3R)-2-[(3-cyanophenyl)methyl]-3-[(4-cyclohexylcyclohexanecarbonyl)amino]-5-phenyl-pent-4-enoic acid CAS Name: (E,2R,3R)-2-[(3-cyanophenyl)methyl]-3-[[(4-cyclohexylcyclohexyl)-oxomethyl]amino]-5-phenyl-4-pentenoic acid IUPAC Name: (E,2R,3R)-2-[(3-cyanophenyl)methyl]-3-[(4-cyclohexylcyclohexanecarbonyl)amino]-5-phenylpent-4-enoic acid Traditional Name: (E,2R,3R)-2-(3-cyanobenzyl)-3-[(4-cyclohexylcyclohexanecarbonyl)amino]-5-phenyl-pent-4-enoic acid Formula: C32H38N2O3 MolecularWeight: 498.65572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)C(=O)NC(C=CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C#N)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)C(=O)N[C@H](/C=C/C3=CC=CC=C3)[C@@H](CC4=CC=CC(=C4)C#N)C(=O)O

InChI

InChI=1S/C32H38N2O3/c33-22-25-11-7-10-24(20-25)21-29(32(36)37)30(19-14-23-8-3-1-4-9-23)34-31(35)28-17-15-27(16-18-28)26-12-5-2-6-13-26/h1,3-4,7-11,14,19-20,26-30H,2,5-6,12-13,15-18,21H2,(H,34,35)(H,36,37)/b19-14+/t27?,28?,29-,30-/m1/s1