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

Systemtic Name: 3-[1-(3-cyclohexylpropyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-[1-(3-cyclohexylpropyl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-(3-cyclohexylpropyl)-4-imidazolyl]-2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[1-(3-cyclohexylpropyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-[1-(3-cyclohexylpropyl)imidazol-4-yl]propionic acid Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCN2C=C(N=C2)CC(C(=O)O)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCCN2C=C(N=C2)CC(C(=O)O)N3CCC(C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O4/c32-26(33)25(16-24-17-30(20-28-24)14-7-12-21-8-3-1-4-9-21)31-15-13-23(18-31)29-27(34)35-19-22-10-5-2-6-11-22/h2,5-6,10-11,17,20-21,23,25H,1,3-4,7-9,12-16,18-19H2,(H,29,34)(H,32,33)