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Handle region peptide, rat

CAT: 0931-TP1761-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1761-01Size:1 mg
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CAS Number
749227-53-0
Target
RAAS
Related Pathways
Endocrinology/Hormones
Bioactivity
Handle region peptide, rat, functions as a prorenin receptor antagonist, effectively inhibiting the development of diabetic nephropathy while also exhibiting anti-inflammatory properties specifically within the eye.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)N)=O)[C@H](CC)C)=O)CC(C)C)=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)CCSC)(=O)N1[C@H](C(N[C@H](C(N[C@@H]([C@H](C)C)C(O)=O)=O)CO)=O)CCC1
Molecular Formula
C54H101N15O12S
Molecular Weight
1184.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Arg-Ile-Leu-Leu-Lys-Lys-Met-Pro-Ser-Val-OH
CAS Number749227-53-0
PubChem CID10034285
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
Molecular FormulaC54H101N15O12S
Molecular Weight1184.5
XLogP-2.1
Topological Polar Surface Area478
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count41
Heavy Atom Count82
Formal Charge0
Complexity2080
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C54H101N15O12S/c1-10-33(8)43(68-44(71)34(57)17-15-24-60-54(58)59)51(78)65-39(28-31(4)5)48(75)64-38(27-30(2)3)47(74)62-35(18-11-13-22-55)45(72)61-36(19-12-14-23-56)46(73)63-37(21-26-82-9)52(79)69-25-16-20-41(69)50(77)66-40(29-70)49(76)67-42(32(6)7)53(80)81/h30-43,70H,10-29,55-57H2,1-9H3,(H,61,72)(H,62,74)(H,63,73)(H,64,75)(H,65,78)(H,66,77)(H,67,76)(H,68,71)(H,80,81)(H4,58,59,60)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
IUWJOXCKYYVBEA-QMOUKIQXSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Ile-Leu-Leu-Lys-Lys-Met-Pro-Ser-Val-OH
CAS: 749227-53-0
CID: 10034285
Formula: C54H101N15O12S
MW: 1184.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1184.5
XLogP3-2.1
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count41
Exact Mass1183.74748489
Monoisotopic Mass1183.74748489
Topological Polar Surface Area478 Ų
Heavy Atom Count82
Formal Charge0
Complexity2080
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes