1-[[3-formamido-3-[(2-methyl-1-phenyl-propan-2-yl)carbamoyl]cyclopentyl]amino]butylboronic acid

Systemtic Name: 1-[[3-formamido-3-[(2-methyl-1-phenyl-propan-2-yl)carbamoyl]cyclopentyl]amino]butylboronic acid Openeye Name: 1-[[3-[(1,1-dimethyl-2-phenyl-ethyl)carbamoyl]-3-formamido-cyclopentyl]amino]butylboronic acid CAS Name: 1-[[3-formamido-3-[[(2-methyl-1-phenylpropan-2-yl)amino]-oxomethyl]cyclopentyl]amino]butylboronic acid IUPAC Name: 1-[[3-formamido-3-[(2-methyl-1-phenylpropan-2-yl)carbamoyl]cyclopentyl]amino]butylboronic acid Traditional Name: 1-[[3-[(1,1-dimethyl-2-phenyl-ethyl)carbamoyl]-3-formamido-cyclopentyl]amino]butylboronic acid Formula: C21H34BN3O4 MolecularWeight: 403.32336

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCC)NC1CCC(C1)(C(=O)NC(C)(C)CC2=CC=CC=C2)NC=O)(O)O

Isomeric SMILES

B(C(CCC)NC1CCC(C1)(C(=O)NC(C)(C)CC2=CC=CC=C2)NC=O)(O)O

InChI

InChI=1S/C21H34BN3O4/c1-4-8-18(22(28)29)24-17-11-12-21(14-17,23-15-26)19(27)25-20(2,3)13-16-9-6-5-7-10-16/h5-7,9-10,15,17-18,24,28-29H,4,8,11-14H2,1-3H3,(H,23,26)(H,25,27)