CAS 221553-72-6 Lopinavir Metabolite M-3/M-4 - Analytical Products / Alfa Chemistry

CAT	APS221553726
CAS	221553-72-6
Structure
Synonyms	(αS,4R)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-4-hydroxy-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide, (αS,4R)-N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-4-hydroxy-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide
IUPAC Name	(2S)-N-[(1S,3S,4S)-1-benzyl-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-pentyl]-2-[(4R)-4-hydroxy-2-oxo-hexahydropyrimidin-1-yl]-3-methyl-butanamide
Molecular Weight	644.80
Molecular Formula	C37H48N4O6
Canonical SMILES	CC(C)[C@H](N1CC[C@@H](O)NC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4
InChI	InChI=1S/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29-,30-,31-,32+,34-/m0/s1

Accurate Mass	644.3574
Format	Neat
Subcategory	HCV protease inhibitors, Chiral molecules