[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]-tris(oxidanyl)boranuide

Systemtic Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]-tris(oxidanyl)boranuide Openeye Name: trihydroxy-[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boranuide CAS Name: trihydroxy-[(1R)-3-methyl-1-[[(2S)-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-3-phenylpropyl]amino]butyl]boranuide IUPAC Name: trihydroxy-[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boranuide Traditional Name: trihydroxy-[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazinoylamino)propanoyl]amino]butyl]boranuide Formula: C19H26BN4O5- MolecularWeight: 401.24454

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)(O)O

Isomeric SMILES

[B-]([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)(O)O

InChI

InChI=1S/C19H26BN4O5/c1-13(2)10-17(20(27,28)29)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-29H,10-11H2,1-2H3,(H,23,26)(H,24,25)/q-1/t15-,17-/m0/s1