Primary record
sequinavir
- CAS
- 127779-20-8
- PubChem CID
- 60787
- SMILES
- CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O
- Molecular Formula
- C38H50N6O5
- Molecular Weight
- 670.855
- Exact Mass
- 670.3843
- InChI
- InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1
- InChIKey
- QWAXKHKRTORLEM-LINFGICFSA-N
- LogP
- 3.0924
- TPSA
- 166.75
Names and synonyms
- sequinavir
- SAQUINAVIR
- Fortovase
- Invirase
- Saquinivir
- Saquinavir mesylate
- Saquinavir [USAN]
- AC1L1TXB
- RefChem:1080262
- CHEMBL296480
- DTXSID201098894
- SCHEMBL1976548
- HSDB 7161
- QWAXKHKRTORLEM-LINFGICFSA-N
- C38H50N6O5
- DTXCID001530636
- CID60787
- CID:60787
- NCGC00188944-01
- Ro 31-8959
- LS-45633
- PD062064
- SID:134224158
- Ro 31-8959/000
- C508896
- BRD-A26690767-066-01-9
- 127779-20-8
- 1349873-79-5
- SQV
- (2S)-N-[(1S,2R)-1-benzyl-3-[(3S)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide