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LY301875

CAT: 0013-GTR19224345-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224345-01Size:25 mg
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Description
LY301875 is a nonpeptide angiotensin receptor antagonist. It is a valuable research tool for studying the renin-angiotensin system in both in vitro binding assays and in vivo models of cardiovascular and renal physiology.
CAS Number
154668-27-6
Field of Research
Metabolism Research
Smiles
CCCCCC[C@H] (C (=O) N1C[C@H] (C[C@H]1C (O) =O) Oc1ccc (CC (O) =O) cc1) n1cnc (NC (=O) c2ccccc2S (O) (=O) =O) c1
Molecular Formula
C31H36N4O10S
Molecular Weight
656.70
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 10372148
CAS Number154668-27-6
PubChem CID10372148
IUPAC Name(2S,4S)-4-[4-(carboxymethyl)phenoxy]-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC31H36N4O10S
Molecular Weight656.7
XLogP3.4
Topological Polar Surface Area214
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count46
Formal Charge0
Complexity1170
SMILES
CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)CC(=O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O
InChI
InChI=1S/C31H36N4O10S/c1-2-3-4-5-9-24(34-18-27(32-19-34)33-29(38)23-8-6-7-10-26(23)46(42,43)44)30(39)35-17-22(16-25(35)31(40)41)45-21-13-11-20(12-14-21)15-28(36)37/h6-8,10-14,18-19,22,24-25H,2-5,9,15-17H2,1H3,(H,33,38)(H,36,37)(H,40,41)(H,42,43,44)/t22-,24+,25-/m0/s1
InChIKey
NVBICAJOAFEGRK-CAOCKLPOSA-N
Chemical Structure
2D Structure
2D structure of CID 10372148
CAS: 154668-27-6
CID: 10372148
Formula: C31H36N4O10S
MW: 656.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.7
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass656.21521453
Monoisotopic Mass656.21521453
Topological Polar Surface Area214 Ų
Heavy Atom Count46
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27940-01LY301875

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