Angiotensin-(1-7)
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
Molecular Identity
Angiotensin-(1-7)
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID: 123805
Ile(5)-angiotensin II (1-7) is an angiotensin compound consisting of the linear heptapeptide sequence L-Asp-L-Arg-L-Val-L-Tyr-L-Ile-L-His-L-Pro. It has a role as a vasodilator agent. It is a tautomer of an Ile(5)-angiotensin II (1-7) dizwitterion.
2D Structure
Properties
C41H62N12O11
Molecular Formula
899.00
Molecular Weight
g/mol
898.4661
Exact Mass
Da
-3
XLogP
Drug-like (Lipinski: < 5)
380
TPSA
May have limited oral absorption
12
H-Bond Donors
14
H-Bond Acceptors
1660
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NIsomeric SMILES
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NSynonyms(20)
Angiotensin (1-7)angiotensin-(1-7)TXA127TXA-127ang 1-7(2S)-1-((2S)-2-(((2S,3S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-amino-4-hydroxy-4-oxobutanoyl)amino)-5-(diaminomethylideneamino)pentanoyl)amino)-3-methylbutanoyl)amino)-3-(4-hydroxyphenyl)propanoyl)amino)-3-methylpentanoyl)amino)-3-(3H-imidazol-4-yl)propanoyl)pyrrolidine-2-carboxylic acid(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acidRefChem:55808051833-78-4angiotensin 1-7ASP-ARG-VAL-TYR-ILE-HIS-PROAngiotensin i (1-7)Angiotensin II (1-7) heptapeptideangiotensin II (1-7)Ang-(1-7)
Data from PubChem (NCBI)
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