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

Systemtic Name: 3-[1-(3-methylbutyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)pyrrolidin-1-yl]-3-(1-isopentylimidazol-4-yl)propanoic acid CAS Name: 3-[1-(3-methylbutyl)-4-imidazolyl]-2-[3-(phenylmethoxycarbonylamino)-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[1-(3-methylbutyl)imidazol-4-yl]-2-[3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)pyrrolidino]-3-(1-isoamylimidazol-4-yl)propionic acid Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(N=C1)CC(C(=O)O)N2CCC(C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C=C(N=C1)CC(C(=O)O)N2CCC(C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O4/c1-17(2)8-10-26-13-20(24-16-26)12-21(22(28)29)27-11-9-19(14-27)25-23(30)31-15-18-6-4-3-5-7-18/h3-7,13,16-17,19,21H,8-12,14-15H2,1-2H3,(H,25,30)(H,28,29)