[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-phenylazanyl-heptyl]boronic acid

Systemtic Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-phenylazanyl-heptyl]boronic acid Openeye Name: [7-anilino-6-(tert-butoxycarbonylamino)-7-oxo-heptyl]boronic acid CAS Name: [7-anilino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl]boronic acid IUPAC Name: [7-anilino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl]boronic acid Traditional Name: [7-anilino-6-(tert-butoxycarbonylamino)-7-keto-heptyl]boronic acid Formula: C18H29BN2O5 MolecularWeight: 364.24426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BN2O5/c1-18(2,3)26-17(23)21-15(12-8-5-9-13-19(24)25)16(22)20-14-10-6-4-7-11-14/h4,6-7,10-11,15,24-25H,5,8-9,12-13H2,1-3H3,(H,20,22)(H,21,23)