1-[[2-(3-azanyl-2-oxidanylidene-3-propan-2-yl-pyrrolidin-1-yl)-2-phenyl-ethanoyl]amino]propylboronic acid

Systemtic Name: 1-[[2-(3-azanyl-2-oxidanylidene-3-propan-2-yl-pyrrolidin-1-yl)-2-phenyl-ethanoyl]amino]propylboronic acid Openeye Name: 1-[[2-(3-amino-3-isopropyl-2-oxo-pyrrolidin-1-yl)-2-phenyl-acetyl]amino]propylboronic acid CAS Name: 1-[[2-(3-amino-2-oxo-3-propan-2-yl-1-pyrrolidinyl)-1-oxo-2-phenylethyl]amino]propylboronic acid IUPAC Name: 1-[[2-(3-amino-2-oxo-3-propan-2-ylpyrrolidin-1-yl)-2-phenylacetyl]amino]propylboronic acid Traditional Name: 1-[[2-(3-amino-3-isopropyl-2-keto-pyrrolidino)-2-phenyl-acetyl]amino]propylboronic acid Formula: C18H28BN3O4 MolecularWeight: 361.24362

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC)NC(=O)C(C1=CC=CC=C1)N2CCC(C2=O)(C(C)C)N)(O)O

Isomeric SMILES

B(C(CC)NC(=O)C(C1=CC=CC=C1)N2CCC(C2=O)(C(C)C)N)(O)O

InChI

InChI=1S/C18H28BN3O4/c1-4-14(19(25)26)21-16(23)15(13-8-6-5-7-9-13)22-11-10-18(20,12(2)3)17(22)24/h5-9,12,14-15,25-26H,4,10-11,20H2,1-3H3,(H,21,23)