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Angiotensin II human

CAT: 0957-E1015-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAS Number
4474-91-3
Target
Angiotensin Receptor
Applications
GPCR & G Protein
Molecular Formula
C50H71N13O12
Additionnal Information
Angiotensin II human is a potent vasoconstrictor that induces angiogenesis by activating angiotensin II type 1 (AT1) receptor, which increases the production of vascular endothelial growth factor (VEGF) in a redox-sensitive manner and promotes the formation of capillaries from endothelial cells through the LOX-1-dependent redox-sensitive pathway.

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...
View on PubChemRaw 3D data
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

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