methyl 3-[2-[oxidanylideneboranylmethyl(phenethyl)amino]ethanoylamino]-5-phenyl-pentanoate

Systemtic Name: methyl 3-[2-[oxidanylideneboranylmethyl(phenethyl)amino]ethanoylamino]-5-phenyl-pentanoate Openeye Name: methyl 3-[[2-[oxoboranylmethyl(phenethyl)amino]acetyl]amino]-5-phenyl-pentanoate CAS Name: 3-[[1-oxo-2-[oxoboranylmethyl(phenethyl)amino]ethyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-[[2-[oxoboranylmethyl(phenethyl)amino]acetyl]amino]-5-phenylpentanoate Traditional Name: 3-[[2-[ketoboranylmethyl(phenethyl)amino]acetyl]amino]-5-phenyl-valeric acid methyl ester Formula: C23H29BN2O4 MolecularWeight: 408.29836

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CN(CCC1=CC=CC=C1)CC(=O)NC(CCC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

B(=O)CN(CCC1=CC=CC=C1)CC(=O)NC(CCC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C23H29BN2O4/c1-30-23(28)16-21(13-12-19-8-4-2-5-9-19)25-22(27)17-26(18-24-29)15-14-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,25,27)