[[2-acetamido-3-[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-3-oxidanyl-phenyl]propanoyl]amino]boron

Systemtic Name: [[2-acetamido-3-[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-3-oxidanyl-phenyl]propanoyl]amino]boron Openeye Name: [[2-acetamido-3-[3-hydroxy-4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)phenyl]propanoyl]amino]boron CAS Name: [[2-acetamido-3-[3-hydroxy-4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]-1-oxopropyl]amino]boron IUPAC Name: [[2-acetamido-3-[3-hydroxy-4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]propanoyl]amino]boron Traditional Name: [[2-acetamido-3-[3-hydroxy-4-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)phenyl]propanoyl]amino]boron Formula: C15H19BN2O6 MolecularWeight: 334.13216

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Descriptors Computed from Structure

Canonical SMILES:

[B]NC(=O)C(CC1=CC(=C(C=C1)OC(C)(C)C(=O)O)O)NC(=O)C

Isomeric SMILES

[B]NC(=O)C(CC1=CC(=C(C=C1)OC(C)(C)C(=O)O)O)NC(=O)C

InChI

InChI=1S/C15H19BN2O6/c1-8(19)17-10(13(21)18-16)6-9-4-5-12(11(20)7-9)24-15(2,3)14(22)23/h4-5,7,10,20H,6H2,1-3H3,(H,17,19)(H,18,21)(H,22,23)