chempirical

Lopinavir

C37H48N4O5CAS 192725-17-0628.81 g/mol

Open in Covalent MOL file
OOHNHOHNONHNO
AlcoholEther

Properties

Molecular formula
C37H48N4O5
Molar mass
628.81 g/mol
Exact mass
628.3625 Da
logP
6.21Crippen estimate
Polar surface area
130.5 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
15
Stereocentres
S, S, S, Sin SMILES atom order

Identifiers

CAS number
192725-17-0
SMILES
Cc1cccc(C)c1OCC(O)=N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)N=C(O)[C@H](C(C)C)N1CCCN=C1O
InChIKey
KJHKTHWMRKYKJE-SUGCFTRWSA-N
InChI
InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
  • 1(2H)-Pyrimidineacetamide, N-[4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, [1S-[1R*(R*),3R*,4R*]]-
  • 1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
  • (αS)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide
  • A 157378.0
  • ABT 378
  • Koletra
  • Aluviran

Work with Lopinavir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ritonavir155213-67-536 % similar (αS)-Tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic acid192725-50-135 % similar 1,1-Dimethylethyl N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate162536-40-531 % similar 1,1-Dimethylethyl N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate165727-45-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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