chempirical

Ritonavir

C37H48N6O5S2CAS 155213-67-5720.95 g/mol

Open in Covalent MOL file
NNONHONHHONHOONSS
Alcohol

Properties

Molecular formula
C37H48N6O5S2
Molar mass
720.95 g/mol
Exact mass
720.3128 Da
logP
7.15Crippen estimate
Polar surface area
156.3 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
17
Stereocentres
S, S, S, Sin SMILES atom order

Identifiers

CAS number
155213-67-5
SMILES
CC(C)c1nc(CN(C)C(O)=N[C@H](C(O)=N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)N=C(O)OCc2cncs2)C(C)C)cs1
InChIKey
NCDNCNXCDXHOMX-XGKFQTDJSA-N
InChI
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-
  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S,8S,10S,11S)-
  • ABT 538
  • Abbott 84538
  • A 84538
  • Norvir
  • NSC 693184
  • RTV
  • Ritomune
  • Viriton
  • Ritovir
  • Empetus
  • Novir

Work with Ritonavir

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

Cobicistat1004316-88-464 % similar N-[[Methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-L-valine154212-61-046 % similar Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate88191-84-837 % similar Lopinavir192725-17-036 % similar 1,1-Dimethylethyl N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate162536-40-532 % similar 1,1-Dimethylethyl N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]carbamate165727-45-732 % similar Phenylmethyl N-[(3as,4R,6S,6ar)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamate274693-53-731 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-530 % similar

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

Elsewhere

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