3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-[1-(2-cyclohexylethyl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-(2-cyclohexylethyl)-4-imidazolyl]-2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[1-(2-cyclohexylethyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-[1-(2-cyclohexylethyl)imidazol-4-yl]propionic acid Formula: C26H36N4O4 MolecularWeight: 468.58844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2C=C(N=C2)CC(C(=O)O)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCN2C=C(N=C2)CC(C(=O)O)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O4/c31-25(32)24(15-23-16-29(19-27-23)13-11-20-7-3-1-4-8-20)30-14-12-22(17-30)28-26(33)34-18-21-9-5-2-6-10-21/h2,5-6,9-10,16,19-20,22,24H,1,3-4,7-8,11-15,17-18H2,(H,28,33)(H,31,32)