[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(quinolin-3-ylamino)heptyl]boronic acid

Systemtic Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-(quinolin-3-ylamino)heptyl]boronic acid Openeye Name: [6-(tert-butoxycarbonylamino)-7-oxo-7-(3-quinolylamino)heptyl]boronic acid CAS Name: [6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-(3-quinolinylamino)heptyl]boronic acid IUPAC Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(quinolin-3-ylamino)heptyl]boronic acid Traditional Name: [6-(tert-butoxycarbonylamino)-7-keto-7-(3-quinolylamino)heptyl]boronic acid Formula: C21H30BN3O5 MolecularWeight: 415.291

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C)(O)O

Isomeric SMILES

B(CCCCCC(C(=O)NC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C)(O)O

InChI

InChI=1S/C21H30BN3O5/c1-21(2,3)30-20(27)25-18(11-5-4-8-12-22(28)29)19(26)24-16-13-15-9-6-7-10-17(15)23-14-16/h6-7,9-10,13-14,18,28-29H,4-5,8,11-12H2,1-3H3,(H,24,26)(H,25,27)