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Molecule record

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

C37H48N6O5S2

720.96 g/mol

Loading structure

Molecular properties

Formula
C37H48N6O5S2
Molar mass
720.96 g·mol−1
Exact mass
720.3128 Da
17
PubChem CID
392622

Functional groups

Alcohol
Alkane / alkyl carbon
Amide
Aromatic ring
Ester
Ether
Secondary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 155213-67-5
  • A-84538
  • ABT-538
  • ABT538
  • Abbott 84538
  • CHEBI:45409
  • DTXCID8028553
  • DTXSID1048627
Show all 24 synonyms
  • Empetus
  • NSC-693184
  • NSC693184
  • Norvir
  • O3J8G9O825
  • PAXLOVID COMPONENT RITONAVIR
  • Ritomune
  • Ritonavir film coated
  • Ritonavirum
  • Ritovir
  • VIEKIRAX COMPONENT RITONAVIR
  • Viekirax
  • Viriton
  • XIANNUOXIN COMPONENT RITONAVIR
  • ritonavir
  • ritonavir 100 mg

Structure identifiers

Canonical SMILES
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
Isomeric SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
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
InChIKey
NCDNCNXCDXHOMX-XGKFQTDJSA-N
PubChem CID
392622

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record