3-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(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-oxobutanoic acid
Basic information
- CAS
11128-99-7- Standard SMILES
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O- InChIKey
CZGUSIXMZVURDU-UHFFFAOYSA-N- Molecular formula
- C50H71N13O12
- Average molar mass
- 1,046.2 g/mol
- Monoisotopic mass
- 1,045.53451475
Overview
See also: Angiotensin Ii (annotation moved to).
Names & identifiers
- Preferred name
- 3-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(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-oxobutanoic acid
- IUPAC
- 3-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(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-oxobutanoic acid
- English name
- (3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(3H-imidazol-4-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]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
- Molecular formula
- C50H71N13O12
- Molecular weight
- 0
Names & synonyms
11128-99-73-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(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-oxobutanoic acid(3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[Angiotensinum II [INN-Latin]Angiotensina II [INN-Spanish]H-DRVYIHPF-OHC50H71N13O12angio-tensina iiAngiotensin II trifluoroacetate saltAngiotensin ?, humanH-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-OHAngiotensin II (acetate);Ang II (acetate);DRVYIHPF (acetate)
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 409 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 29
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,980
Physicochemical properties
- FDA UNII
- 89 EFU921 · M089EFU921
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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