[(1R)-1-[2-[[(2R)-2-acetamido-3-phenyl-propanoyl]-cyclohexyl-amino]ethanoylamino]-4-[bis(azanyl)methylideneamino]butyl]boronic acid

Systemtic Name: [(1R)-1-[2-[[(2R)-2-acetamido-3-phenyl-propanoyl]-cyclohexyl-amino]ethanoylamino]-4-[bis(azanyl)methylideneamino]butyl]boronic acid Openeye Name: [(1R)-1-[[2-[[(2R)-2-acetamido-3-phenyl-propanoyl]-cyclohexyl-amino]acetyl]amino]-4-guanidino-butyl]boronic acid CAS Name: [(1R)-1-[[2-[[(2R)-2-acetamido-1-oxo-3-phenylpropyl]-cyclohexylamino]-1-oxoethyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid IUPAC Name: [(1R)-1-[[2-[[(2R)-2-acetamido-3-phenylpropanoyl]-cyclohexylamino]acetyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid Traditional Name: [(1R)-1-[[2-[[(2R)-2-acetamido-3-phenyl-propanoyl]-cyclohexyl-amino]acetyl]amino]-4-guanidino-butyl]boronic acid Formula: C24H39BN6O5 MolecularWeight: 502.41466

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCCN=C(N)N)NC(=O)CN(C1CCCCC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C)(O)O

Isomeric SMILES

B([C@H](CCCN=C(N)N)NC(=O)CN(C1CCCCC1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C)(O)O

InChI

InChI=1S/C24H39BN6O5/c1-17(32)29-20(15-18-9-4-2-5-10-18)23(34)31(19-11-6-3-7-12-19)16-22(33)30-21(25(35)36)13-8-14-28-24(26)27/h2,4-5,9-10,19-21,35-36H,3,6-8,11-16H2,1H3,(H,29,32)(H,30,33)(H4,26,27,28)/t20-,21+/m1/s1