Basic information
- CAS
98641-01-1- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O- InChIKey
OQJBUDNBISEXRN-WUQPOLMWSA-N- Molecular formula
- C46H73N13O9
- Average molar mass
- 952.2 g/mol
- Monoisotopic mass
- 951.56542096
Names & identifiers
- Preferred name
- angiotensin II, Sar(1)-Phe(4)-Ile(8)-
- IUPAC
- (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
- English name
- angiotensin II, Sar(1)-Phe(4)-Ile(8)-
- Molecular formula
- C46H73N13O9
- Molecular weight
- 952.17
Names & synonyms
Angiotensin II, sar(1)-phe(4)-ile(8)-1-Sar-4-phe-8-ile-angiotensin II98641-01-1DTXSID502437481-Sarcosyl-4-phenylalanyl-8-isoleucine-angiotensin IIAngiotensin II, sarcosyl(1)-phenylalanyl(4)-isoleucine(8)-RefChem:112709DTXCID80166239CHEMBL3350601N-Methylglycyl-N~5~-(diaminomethylidene)-L-ornithyl-L-valyl-L-phenylalanyl-L-isoleucyl-L-histidyl-L-prolyl-L-isoleucineANG IIAngiotensin II, 1-(N-methylglycine)-4-L-phenylalanine-5-L-isoleucine-8-L-isoleucine- (9CI)
Database identifiers
- CAS
98641-01-1- PubChem CID
- 196344
- DTXSID
DTXSID50243748- ChEMBL
CHEMBL3350601
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 337 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 28
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,720
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.22(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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