[4,4-bis(bromanyl)-1-[[1-[2-(5-oxidanylidenepentanoylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]butyl]boronic acid

Systemtic Name: [4,4-bis(bromanyl)-1-[[1-[2-(5-oxidanylidenepentanoylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]butyl]boronic acid Openeye Name: [4,4-dibromo-1-[[1-[2-(5-oxopentanoylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid CAS Name: [4,4-dibromo-1-[[[1-[2-(1,5-dioxopentylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]butyl]boronic acid IUPAC Name: [4,4-dibromo-1-[[1-[2-(5-oxopentanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid Traditional Name: [4,4-dibromo-1-[[1-[2-(5-ketopentanoylamino)-3-phenyl-propanoyl]prolyl]amino]butyl]boronic acid Formula: C23H32BBr2N3O6 MolecularWeight: 617.13568

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCC(Br)Br)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CCCC=O)(O)O

Isomeric SMILES

B(C(CCC(Br)Br)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)CCCC=O)(O)O

InChI

InChI=1S/C23H32BBr2N3O6/c25-20(26)12-11-19(24(34)35)28-22(32)18-9-6-13-29(18)23(33)17(15-16-7-2-1-3-8-16)27-21(31)10-4-5-14-30/h1-3,7-8,14,17-20,34-35H,4-6,9-13,15H2,(H,27,31)(H,28,32)