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Home >> Chemical Listing >> Page 944 >> (2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-4-Hydroxy-1,6-Diphenyl-2-Hexanyl]-2-(4-Hydroxy-2-Oxotetrahydro-1(2H)-Pyrimidinyl)-3-Methylbutanamide

(2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-4-Hydroxy-1,6-Diphenyl-2-Hexanyl]-2-(4-Hydroxy-2-Oxotetrahydro-1(2H)-Pyrimidinyl)-3-Methylbutanamide
[CAS# 221553-72-6]

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Identification
Name (2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-4-Hydroxy-1,6-Diphenyl-2-Hexanyl]-2-(4-Hydroxy-2-Oxotetrahydro-1(2H)-Pyrimidinyl)-3-Methylbutanamide
Synonyms Lopinavir Metabolite M-3/M-4
Molecular Structure CAS#: 221553-72-6, (2S)-N-[(4S)-5-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-4-Hydroxy-1,6-Diphenyl-2-Hexanyl]-2-(4-Hydroxy-2-Oxotetrahydro-1(2H)-Pyrimidinyl)-3-Methylbutanamide
Molecular Formula C37H48N4O6
Molecular Weight 644.80
CAS Registry Number 221553-72-6
SMILES Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)[C@H](CC(Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCC(NC4=O)O)O)C
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
InChIKey HECSHMHYHYDFLR-SWOJEPDRSA-N
Properties
Density 1.2g/cm3 (Cal.)
Boiling point 957.204°C at 760 mmHg (Cal.)
Flash point 532.698°C (Cal.)
Refractive index 1.588 (Cal.)
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