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AG 84-10

CAT: 0013-GTR19200565Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200565Size:25 mg
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Description
AG 84-10 is a peptidic substrate analog structurally related to Angiotensinogen 6-13. This compound exhibits antihypertensive properties and is utilized in cardiovascular research to study renin-angiotensin system mechanisms in both in vitro and in vivo experimental models.
CAS Number
121520-99-8
Smiles
C (N[C@@H] (CC1=CC=CC=C1) C (N[C@@H] (CC2=CN=CN2) C (N[C@H] (C (N[C@H] (C (N[C@@H] (CC3=CC=C (O) C=C3) C (O) =O) =O) C (C) C) =O) CC (C) C) =O) =O) (=O) [C@H]4N (C (C) =O) CCC4
Molecular Formula
C42H56N8O9
Molecular Weight
816.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AG 84-10

similar to angiotensinogen (6-13)

CAS Number121520-99-8
PubChem CID3082985
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC42H56N8O9
Molecular Weight816.9
XLogP3.4
Topological Polar Surface Area252
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count59
Formal Charge0
Complexity1450
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)C
InChI
InChI=1S/C42H56N8O9/c1-24(2)18-31(39(55)49-36(25(3)4)41(57)48-34(42(58)59)20-28-13-15-30(52)16-14-28)45-38(54)33(21-29-22-43-23-44-29)46-37(53)32(19-27-10-7-6-8-11-27)47-40(56)35-12-9-17-50(35)26(5)51/h6-8,10-11,13-16,22-25,31-36,52H,9,12,17-21H2,1-5H3,(H,43,44)(H,45,54)(H,46,53)(H,47,56)(H,48,57)(H,49,55)(H,58,59)/t31-,32-,33-,34-,35-,36-/m0/s1
InChIKey
OPTXGVMCPPAKTD-NGTAMTFRSA-N
Chemical Structure
2D Structure
2D structure of AG 84-10
CAS: 121520-99-8
CID: 3082985
Formula: C42H56N8O9
MW: 816.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight816.9
XLogP33.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass816.41702539
Monoisotopic Mass816.41702539
Topological Polar Surface Area252 Ų
Heavy Atom Count59
Formal Charge0
Complexity1450
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes