[(1R)-3-methyl-1-[[(2S)-2-[(3R)-3-[(3-methylphenyl)sulfonylamino]-2-oxidanylidene-3-propan-2-yl-pyrrolidin-1-yl]-3-phenyl-propanoyl]amino]butyl]boronic acid

Systemtic Name: [(1R)-3-methyl-1-[[(2S)-2-[(3R)-3-[(3-methylphenyl)sulfonylamino]-2-oxidanylidene-3-propan-2-yl-pyrrolidin-1-yl]-3-phenyl-propanoyl]amino]butyl]boronic acid Openeye Name: [(1R)-1-[[(2S)-2-[(3R)-3-isopropyl-3-(m-tolylsulfonylamino)-2-oxo-pyrrolidin-1-yl]-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid CAS Name: [(1R)-3-methyl-1-[[(2S)-2-[(3R)-3-[(3-methylphenyl)sulfonylamino]-2-oxo-3-propan-2-yl-1-pyrrolidinyl]-1-oxo-3-phenylpropyl]amino]butyl]boronic acid IUPAC Name: [(1R)-3-methyl-1-[[(2S)-2-[(3R)-3-[(3-methylphenyl)sulfonylamino]-2-oxo-3-propan-2-ylpyrrolidin-1-yl]-3-phenylpropanoyl]amino]butyl]boronic acid Traditional Name: [(1R)-1-[[(2S)-2-[(3R)-3-isopropyl-2-keto-3-(m-tolylsulfonylamino)pyrrolidino]-3-phenyl-propanoyl]amino]-3-methyl-butyl]boronic acid Formula: C28H40BN3O6S MolecularWeight: 557.5097

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N2CCC(C2=O)(C(C)C)NS(=O)(=O)C3=CC=CC(=C3)C)(O)O

Isomeric SMILES

B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)N2CC[C@](C2=O)(C(C)C)NS(=O)(=O)C3=CC=CC(=C3)C)(O)O

InChI

InChI=1S/C28H40BN3O6S/c1-19(2)16-25(29(35)36)30-26(33)24(18-22-11-7-6-8-12-22)32-15-14-28(20(3)4,27(32)34)31-39(37,38)23-13-9-10-21(5)17-23/h6-13,17,19-20,24-25,31,35-36H,14-16,18H2,1-5H3,(H,30,33)/t24-,25-,28+/m0/s1