Angiotensin II, sar(1)-val(5)-ile(8)-
Basic information
- CAS
51274-63-6- 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](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(=O)O- InChIKey
NFWQZSLSBTWRGP-URQAAJBBSA-N- Molecular formula
- C45H71N13O10
- Average molar mass
- 954.1 g/mol
- Monoisotopic mass
- 953.54468551
Overview
amino acid sequence given in first source
Names & identifiers
- Preferred name
- Angiotensin II, sar(1)-val(5)-ile(8)-
- IUPAC
- (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
- English name
- angiotensin II, Sar(1)-Val(5)-Ile(8)-
- Molecular formula
- C45H71N13O10
- Molecular weight
- 954.13
Names & synonyms
1-Svi-ang IIAngiotensin II, sar(1)-val(5)-ile(8)-51274-63-61-Sar-5-val-8-ile-angiotensin IIAngiotensin II, sarcosyl(1)-valyl(5)-isoleucine(8)-RefChem:112712CHEMBL77838EX-A8413BDBM50229420CGP 43356Angiotensin II, 1-(N-methylglycine)-5-L-valine-8-L-isoleucine-Octapeptide (NMe) G-RVYVHPI
Show more names
L-Isoleucine, N-methylglycyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-
Database identifiers
- CAS
51274-63-6- PubChem CID
- 171012
- ChEMBL
CHEMBL77838- Nikkaji
- J421.082D
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 358 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 27
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,740
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.22(Predicted)
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Related reactions
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Compound notes
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