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LP 130

CAT: 0931-T24416-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T24416-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153314-49-9
Target
Others, Virus Protease
Related Pathways
Microbiology/Virology, Others
Bioactivity
LP 130 is an inhibitor of retroviral protease.
Smiles
CC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Molecular Formula
C45H58N6O7
Molecular Weight
794.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
CAS Number153314-49-9
PubChem CID473341
IUPAC Name(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
Molecular FormulaC45H58N6O7
Molecular Weight795.0
XLogP5.7
Topological Polar Surface Area209
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Heavy Atom Count58
Formal Charge0
Complexity1390
SMILES
CCC(C(=O)N[C@@H](CC1=CC=CC2=CC=CC=C21)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)NC(=O)C)O
InChI
InChI=1S/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35?,36-,37-,38-,39-,41-/m0/s1
InChIKey
ACPDNLLISIAERE-GFFZWOAJSA-N
Chemical Structure
2D Structure
2D structure of (3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
CAS: 153314-49-9
CID: 473341
Formula: C45H58N6O7
MW: 795.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight795.0
XLogP35.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Exact Mass794.43669821
Monoisotopic Mass794.43669821
Topological Polar Surface Area209 Ų
Heavy Atom Count58
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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