Angiotensin I, sar(1)-val(5)-N-Me-ala(7)-
Basic information
- CAS
95262-82-1- Standard SMILES
CCC(C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=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
OGOWYGNVBSTBLI-FMXBQDTMSA-N- Molecular formula
- C59H87N17O12
- Average molar mass
- 1,226.4 g/mol
- Monoisotopic mass
- 1,225.67201128
Names & identifiers
- Preferred name
- Angiotensin I, sar(1)-val(5)-N-Me-ala(7)-
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-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]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
- English name
- angiotensin I, Sar(1)-Val(5)-N-Me-Ala(7)-
- Molecular formula
- C59H87N17O12
- Molecular weight
- 1226.45
Names & synonyms
Svmaai1-Sar-5-val-7-N-Me-ala-angiotensin IAngiotensin I, sar(1)-val(5)-N-Me-ala(7)-95262-82-1Angiotensin I, sarcosyl(1)-valyl(5)-N-methylalanine(7)-RefChem:112686Angiotensin I, 1-(N-methylglycine)-5-L-valine-7-(N-methyl-L-alanine)-Angiotensin I, 1-(N-methylglycine)-5-L-valine-7-(N-methyl-L-alanine)- (9CI)(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-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]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
Database identifiers
- CAS
95262-82-1- PubChem CID
- 5486928
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 444 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 36
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,330
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.10(Predicted)
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Compound notes
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