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Angiotensin II human

CAT: 0013-GTR19162182-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162182-01Size:200 mg
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Description
Angiotensin II human is converted by Angiotensin I through removal of two C-terminal residues by the enzyme angiotensin-converting enzyme (ACE) . Angiotensin II is mediated by AT1 and AT2 receptors, which are seven transmembrane glycoproteins with 30% sequence similarity.
CAS Number
4474-91-3
Product Name Alternative
Angiotensin II | Asp-Arg-Val-Tyr-Ile-His-Pro-Phe
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
H2O: ≥ 50 mg/mL
Smiles
O=C (O) C[C@H] (N) C (N[C@@H] (CCC/N=C (N) \N) C (N[C@@H] (C (C) C) C (N[C@@H] (CC1=CC=C (O) C=C1) C (N[C@@H] ([C@@H] (C) CC) C (N[C@@H] (CC2=CN=CN2) C (N3[C@H] (C (N[C@H] (C (O) =O) CC4=CC=CC=C4) =O) CCC3) =O) =O) =O) =O) =O) =O
Molecular Formula
C50H71N13O12
Molecular Weight
1046.18
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(2S,5S,8S,11S,14S,17S) -2- ((1H-imidazol-5-yl) methyl) -17-amino-5- ((S) -sec-butyl) -1- ((S) -2- (((S) -1-carboxy-2-phenylethyl) carbamoyl) pyrrolidin-1-yl) -14- (3- ((diaminomethylene) amino) propyl) -8- (4-hydroxybenzyl) -11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid

Chemical Information

Angiotensin Ii

Ile(5)-angiotensin II is an angiotensin II that acts on the central nervous system (PDB entry: 1N9V). It has a role as a human metabolite. It is a tautomer of an Ile(5)-angiotensin II dizwitterion.

CAS Number4474-91-3
PubChem CID172198
IUPAC Name(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC50H71N13O12
Molecular Weight1046.2
XLogP-1.7
Topological Polar Surface Area409
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count29
Heavy Atom Count75
Formal Charge0
Complexity1980
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
InChIKey
CZGUSIXMZVURDU-JZXHSEFVSA-N
Chemical Structure
2D Structure
2D structure of Angiotensin Ii
CAS: 4474-91-3
CID: 172198
Formula: C50H71N13O12
MW: 1046.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1046.2
XLogP3-1.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count15
Rotatable Bond Count29
Exact Mass1045.53451475
Monoisotopic Mass1045.53451475
Topological Polar Surface Area409 Ų
Heavy Atom Count75
Formal Charge0
Complexity1980
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes