[(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-2-methyl-propyl]boronic acid

Systemtic Name: [(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-2-methyl-propyl]boronic acid Openeye Name: [(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxo-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2-methyl-propyl]boronic acid CAS Name: [(1R)-1-[[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-methylpropyl]boronic acid IUPAC Name: [(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropyl]boronic acid Traditional Name: [(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-keto-4-methoxy-butanoyl)amino]propanoyl]amino]propanoyl]prolyl]amino]-2-methyl-propyl]boronic acid Formula: C20H35BN4O8 MolecularWeight: 470.3249

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Descriptors Computed from Structure

Canonical SMILES:

B(C(C(C)C)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC)(O)O

Isomeric SMILES

B([C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)(O)O

InChI

InChI=1S/C20H35BN4O8/c1-11(2)17(21(31)32)24-19(29)14-7-6-10-25(14)20(30)13(4)23-18(28)12(3)22-15(26)8-9-16(27)33-5/h11-14,17,31-32H,6-10H2,1-5H3,(H,22,26)(H,23,28)(H,24,29)/t12-,13-,14-,17-/m0/s1