(alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acid → HCID 86708715, compound

Participants

Role	Name	HCID	Charge
Reactant	(alphaR)-alpha-((Methoxycarbonyl)amino)benzeneacetic acid	HCID 10910775	—
Reactant	(2S)-2-((methoxycarbonyl)amino)-3-methylbutanoic acid	HCID 10942966	—
Reactant	methyl (R)-2-((S)-2-(5-(8-(2-((S)-1-((S)-2-methoxycarbonylamino-3-methylbutanoyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-dibenzo[c,h]chromen-2-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamate	HCID 67681424	—
Product	HCID 86708715	HCID 86708715	—

Reaction Steps

This compound was made in an analogous manner to methyl (R)-2-((S)-2-(5-(8-(2-((S)-1-((S)-2-methoxycarbonylamino-3-methylbutanoyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-dibenzo[c,h]chromen-2-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-2-oxo-1-phenylethylcarbamate, substituting (S)-2-(methoxycarbonylamino)-2-(tetrahydro-2H-pyran-4-yl)acetic acid for (S)-2-(methoxycarbonylamino)-3-methylbutanoic acid in the first amide coupling, and substituting (2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid for (R)-2-(methoxycarbonylamino)-2-phenylacetic acid in the second amide coupling. LCMS-ESI+: calculated for C47H54N8O9: 874.98; observed [M+1]+: 876.01.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US09156823B2
Source dataset	uspto-grants-2015_10
ORD ID	ord-2a072c8ec3db4aebab702c0efb4ce5f7
Source note	uspto-grants-2015_10