Products for Research Use Only
RegisterLogin

U 75875

CAT: 0931-T34976-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T34976-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
112190-24-6
Target
Others
Related Pathways
Others
Bioactivity
U 75875 is a protease inhibitor.
Smiles
O(CC(N[C@@H](CC1=CN=CN1)C(N[C@@H](CC2CCCCC2)[C@H]([C@@H]([C@H](C(N[C@H](C(NCC3=CC=CC=N3)=O)[C@H](CC)C)=O)[C@H](C)C)O)O)=O)=O)C=4C5=C(C=CC4)C=CC=C5
Molecular Formula
C45H61N7O7
Molecular Weight
812.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

U 75875

structure given in first source

CAS Number112190-24-6
PubChem CID5479205
IUPAC Name(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Molecular FormulaC45H61N7O7
Molecular Weight812.0
XLogP6.1
Topological Polar Surface Area208
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count59
Formal Charge0
Complexity1320
SMILES
CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)COC4=CC=CC5=CC=CC=C54)O)O)C(C)C
InChI
InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1
InChIKey
ZTKCGLWIXHAITR-JIFWBGJESA-N
Chemical Structure
2D Structure
2D structure of U 75875
CAS: 112190-24-6
CID: 5479205
Formula: C45H61N7O7
MW: 812.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight812.0
XLogP36.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass811.46324731
Monoisotopic Mass811.46324731
Topological Polar Surface Area208 Ų
Heavy Atom Count59
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T17188-01U-101017
T71413-01U 26384
T71172-01U 80215
T70947-01U-78517F
T70627-01U 89674
T70580-01U 93385
T70263-01U 101958
T70212-01U 95133
T69326-01U 72745G
T69319-01U 34599

Alternative Products

CatalogName
MBS5784457U 75875
HY-105448U-75875

Popular Products