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Chemical structure of DPC-681 (DPH-153893)

GC33968

DPC-681 (DPH-153893)

Also known as (2R)-N-(2-aminoacetyl)-2-[[(2S)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[(3-fluorophenyl)methyl]amino]-3,3-dimethylbutanamide

DPC-681 (DPH-153893) is a potent and selective inhibitor of HIV protease with IC90s for wild-type HIV-1 of 4 to 40 nM

ChemicalCAS284661-68-3MW669.85FormulaC35H48FN5O5S
CAS number
284661-68-3
Molecular weight
669.85
Formula
C35H48FN5O5S
Solubility
DMSO ： 100 mg/mL (149·29 mM; Need ultrasonic)
InChIKey
BHPRDABYBCABNU-NCNGZOBXSA-N
Catalogue number
GC33968
Brand
GLPBIO
Computed properties PubChem CID 3083536 · XLogP 4.7 · TPSA 167 Ų · H-bond donors 4
XLogP
4.7
TPSA
167 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
47

SMILES CC(C)CN(CC([C@H](CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)[C@@H](C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N

Computed descriptors from PubChem (CID 3083536), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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