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Chemical structure of Indinavir

GC36309

Indinavir

Also known as (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Indinavir (MK-639 free base) is an orally active and selective HIV-1 protease inhibitor with a Ki of 0·54 nM for PR

ChemicalCAS150378-17-9MW613.79FormulaC36H47N5O4
CAS number
150378-17-9
Molecular weight
613.79
Formula
C36H47N5O4
Solubility
Soluble in DMSO
InChIKey
CBVCZFGXHXORBI-PXQQMZJSSA-N
Catalogue number
GC36309
Brand
GLPBIO
Computed properties PubChem CID 5362440 · XLogP 2.8 · TPSA 118 Ų · H-bond donors 4
XLogP
2.8
TPSA
118 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
45

SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

Computed descriptors from PubChem (CID 5362440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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