NP-MRD: Showing NP-Card for Angiotensin IV (NP0086696)

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Record Information

Version

2.0

Created at

2022-05-11 16:28:27 UTC

Updated at

2022-05-11 16:28:27 UTC

NP-MRD ID

NP0086696

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Angiotensin IV

Description

Angiotensin IV, also known as nle-angiv or (a)ii(3-8), belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Angiotensin IV is a very strong basic compound (based on its pKa). Angiotensin IV (AngIV) mediates important physiologic functions in the central nervous system, including blood flow regulation, processes underlying to learning and memory, and presents anticonvulsant activity. Angiotensin IV was first documented in 2007 (PMID: 17210474). The presence of AngIV-specific binding sites has been identified in various mammalian tissues, including blood vessels, heart, kidney, and brain.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231218532D          

 56 59  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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 49105  1  0
 50106  1  0
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 52108  1  0
 53109  1  0
 56110  1  0
M  END


  Mrv0541 02231218532D          

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   17.5011  -16.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 26 31  1  6  0  0  0
 28 32  1  0  0  0  0
 28 36  1  0  0  0  0
 29 35  1  0  0  0  0
 30 37  2  0  0  0  0
 32 39  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 38 44  1  0  0  0  0
 39 45  2  0  0  0  0
 39 46  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 47  1  0  0  0  0
 43 48  1  0  0  0  0
 44 49  2  0  0  0  0
 44 50  1  0  0  0  0
 45 51  1  0  0  0  0
 46 52  2  0  0  0  0
 49 54  1  0  0  0  0
 50 55  2  0  0  0  0
 51 53  2  0  0  0  0
 52 53  1  0  0  0  0
 54 56  2  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086696

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1

> <INCHI_KEY>
QSBGWDDCOJYQGY-KOQODJNWSA-N

> <FORMULA>
C40H54N8O8

> <MOLECULAR_WEIGHT>
774.9056

> <EXACT_MASS>
774.406460744

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
81.13193807505662

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid

> <ALOGPS_LOGP>
-0.02

> <JCHEM_LOGP>
-0.6921219201329083

> <ALOGPS_LOGS>
-4.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.52384351018906

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5964944947655932

> <JCHEM_PKA_STRONGEST_BASIC>
8.206121079719193

> <JCHEM_POLAR_SURFACE_AREA>
248.94000000000003

> <JCHEM_REFRACTIVITY>
206.04619999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.53e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      28.668 -16.577   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      28.887 -14.491   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      30.001 -21.967   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      35.336 -23.507   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      26.918 -10.924   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      27.742 -13.461   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      36.670 -24.277   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      32.669 -32.747   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      31.335 -16.577   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      31.335 -19.657   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      30.672 -12.509   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      32.669 -23.507   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      25.927 -19.514   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      35.336 -26.587   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      25.667 -17.035   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      38.004 -28.127   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      31.496 -15.046   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      33.002 -14.725   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      33.772 -16.059   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      32.742 -17.204   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      30.001 -17.347   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      30.001 -18.887   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.352 -14.015   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      28.668 -19.657   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      32.669 -21.967   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      34.002 -21.197   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      31.335 -21.197   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      29.527 -11.478   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      34.002 -19.657   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      27.334 -18.887   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      35.336 -21.967   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      29.847  -9.972   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      34.002 -25.817   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      34.002 -24.277   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      35.336 -18.887   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      28.063 -11.954   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      27.173 -17.356   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      32.669 -26.587   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      28.703  -8.942   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      24.897 -18.369   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      38.004 -26.587   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      36.670 -25.817   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      39.337 -25.817   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      32.669 -28.127   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      29.023  -7.435   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      27.238  -9.417   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      40.671 -26.587   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      39.337 -24.277   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      34.002 -28.897   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      31.335 -28.897   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      27.879  -6.405   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      26.094  -8.387   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      26.414  -6.881   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      34.002 -30.437   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      31.335 -30.437   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      32.669 -31.207   0.000  0.00  0.00           C+0
CONECT    1   21                                                            
CONECT    2   23                                                            
CONECT    3   27                                                            
CONECT    4   34                                                            
CONECT    5   36                                                            
CONECT    6   36                                                            
CONECT    7   42                                                            
CONECT    8   56                                                            
CONECT    9   17   20   21                                                  
CONECT   10   22   27                                                       
CONECT   11   23   28                                                       
CONECT   12   25   34                                                       
CONECT   13   30   40                                                       
CONECT   14   33   42                                                       
CONECT   15   37   40                                                       
CONECT   16   41                                                            
CONECT   17    9   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20    9   19                                                       
CONECT   21    1    9   22                                                  
CONECT   22   10   21   24                                                  
CONECT   23    2   11   17                                                  
CONECT   24   22   30                                                       
CONECT   25   12   26   27                                                  
CONECT   26   25   29   31                                                  
CONECT   27    3   10   25                                                  
CONECT   28   11   32   36                                                  
CONECT   29   26   35                                                       
CONECT   30   13   24   37                                                  
CONECT   31   26                                                            
CONECT   32   28   39                                                       
CONECT   33   14   34   38                                                  
CONECT   34    4   12   33                                                  
CONECT   35   29                                                            
CONECT   36    5    6   28                                                  
CONECT   37   15   30                                                       
CONECT   38   33   44                                                       
CONECT   39   32   45   46                                                  
CONECT   40   13   15                                                       
CONECT   41   16   42   43                                                  
CONECT   42    7   14   41                                                  
CONECT   43   41   47   48                                                  
CONECT   44   38   49   50                                                  
CONECT   45   39   51                                                       
CONECT   46   39   52                                                       
CONECT   47   43                                                            
CONECT   48   43                                                            
CONECT   49   44   54                                                       
CONECT   50   44   55                                                       
CONECT   51   45   53                                                       
CONECT   52   46   53                                                       
CONECT   53   51   52                                                       
CONECT   54   49   56                                                       
CONECT   55   50   56                                                       
CONECT   56    8   54   55                                                  
MASTER        0    0    0    0    0    0    0    0   56    0  118    0
END

View in JSmol

Synonyms

Value	Source
(3-8)-5-Isoleucine-angiotensin II	HMDB
(Des(asp1,arg2)-ile5)angiotensin II	HMDB
(Ile5)-angiotensin II (3-8)	HMDB
(Isoleucine5)-angiotensin II hexapeptide	HMDB
1-De-asp-2-de-arg-5-ile-angiotensin II	HMDB
3-L-Isoleucine-angiotensin IV	HMDB
5-Isoleucine-angiotensin II 3-8-hexapeptide	HMDB
Huamn angiotensin (3-8)	HMDB
Human angiotensin hexapeptide (3-8)	HMDB
Human angiotensin IV	HMDB
Ile3-angiotensin IV	HMDB
Nle-angiv	HMDB
Val-tyr-ile-his-pro-phe	HMDB
Angiotensin II (3-8)	HMDB
(a)II(3-8)	HMDB
(2S)-2-({[(2S)-1-[(2S)-2-{[(2S,3S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanoate	HMDB
Angiotensin IV	MeSH

Chemical Formula

C₄₀H₅₄N₈O₈

Average Mass

774.9056 Da

Monoisotopic Mass

774.40646 Da

IUPAC Name

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid

Traditional Name

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid

CAS Registry Number

Not Available

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O

InChI Identifier

InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1

InChI Key

QSBGWDDCOJYQGY-KOQODJNWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
Histidine or derivatives
Isoleucine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
Proline or derivatives
Valine or derivatives
Alpha-amino acid amide
3-phenylpropanoic-acid
Amphetamine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
N-acylpyrrolidine
Imidazolyl carboxylic acid derivative
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty amide
N-acyl-amine
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Heteroaromatic compound
Imidazole
Azole
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Organoheterocyclic compound
Carboxylic acid
Azacycle
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Carbonyl group
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.02	ALOGPS
logP	-0.69	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	3.6	ChemAxon
pKa (Strongest Basic)	8.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	248.94 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	206.05 m³·mol⁻¹	ChemAxon
Polarizability	81.13 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0001038

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB022385

KNApSAcK ID

Not Available

Chemspider ID

110363

KEGG Compound ID

C15849

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

123814

PDB ID

Not Available

ChEBI ID

528953

Good Scents ID

Not Available

References

General References

Ruiz-Ortega M, Esteban V, Egido J: The regulation of the inflammatory response through nuclear factor-kappab pathway by angiotensin IV extends the role of the renin angiotensin system in cardiovascular diseases. Trends Cardiovasc Med. 2007 Jan;17(1):19-25. doi: 10.1016/j.tcm.2006.10.003. [PubMed:17210474 ]

Showing NP-Card for Angiotensin IV (NP0086696)

MOL for NP0086696 (Angiotensin IV)

3D MOL for NP0086696 (Angiotensin IV)

3D SDF for NP0086696 (Angiotensin IV)

3D-SDF for NP0086696 (Angiotensin IV)

PDB for NP0086696 (Angiotensin IV)

3D PDB for NP0086696 (Angiotensin IV)

SMILES for NP0086696 (Angiotensin IV)

INCHI for NP0086696 (Angiotensin IV)

Structure for NP0086696 (Angiotensin IV)

3D Structure for NP0086696 (Angiotensin IV)