Basic information
- CAS
77119-79-0- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
XBZYWRAAKBCWSV-YYZIJKGMSA-N- Molecular formula
- C65H92N16O15
- Average molar mass
- 1,337.5 g/mol
- Monoisotopic mass
- 1,336.69280629
Names & identifiers
- Preferred name
- Triprolyl angiotensin II
- IUPAC
- (3S)-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-oxo-3-[[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
- English name
- triprolyl angiotensin II
- Molecular formula
- C65H92N16O15
- Molecular weight
- 1337.52
Names & synonyms
(Pro)3 aiiTriprolyl angiotensin IIPro-pro-pro-angiotensiniiAngiotensin II, pro-pro-pro-Angiotensin II, prolyl, prolyl, proline-Angiotensin II, N-(1-(1-prolyl-prolyl)-prolyl)-isoleucine(5)-77119-79-0RefChem:191944Angiotensin II, N-(1-(1-L-prolyl-L-prolyl)-L-prolyl)-5-L-isoleucine-Angiotensin II, N-[1-(1-L-prolyl-L-prolyl)-L-prolyl]-5-L-isoleucine- (9CI)
Database identifiers
- CAS
77119-79-0- PubChem CID
- 129010905
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 465 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 33
- Heavy atoms
- 96
- Formal charge
- 0
- Complexity
- 2,760
Physicochemical properties
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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