[3-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]carbonyl-4-phenylmethoxycarbonyl-piperazin-1-yl]-methyl-borinic acid

Systemtic Name: [3-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]carbonyl-4-phenylmethoxycarbonyl-piperazin-1-yl]-methyl-borinic acid Openeye Name: [4-benzyloxycarbonyl-3-[2-(imidazol-1-ylmethyl)pyrrolidine-1-carbonyl]piperazin-1-yl]-methyl-borinic acid CAS Name: [3-[[2-(1-imidazolylmethyl)-1-pyrrolidinyl]-oxomethyl]-4-phenylmethoxycarbonyl-1-piperazinyl]-methylborinic acid IUPAC Name: [3-[2-(imidazol-1-ylmethyl)pyrrolidine-1-carbonyl]-4-phenylmethoxycarbonylpiperazin-1-yl]-methylborinic acid Traditional Name: [4-carbobenzoxy-3-[2-(imidazol-1-ylmethyl)pyrrolidine-1-carbonyl]piperazino]-methyl-borinic acid Formula: C22H30BN5O4 MolecularWeight: 439.3157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCN(C(C1)C(=O)N2CCCC2CN3C=CN=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

B(C)(N1CCN(C(C1)C(=O)N2CCCC2CN3C=CN=C3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C22H30BN5O4/c1-23(31)26-12-13-28(22(30)32-16-18-6-3-2-4-7-18)20(15-26)21(29)27-10-5-8-19(27)14-25-11-9-24-17-25/h2-4,6-7,9,11,17,19-20,31H,5,8,10,12-16H2,1H3