Molecules/Angiotensin Ii

Angiotensin Ii

(3S)-3-amino-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-oxobutanoic acid

C50H71N13O121046.20 g/molCID 172198

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Molecular Identity

Angiotensin Ii

PubChem CID: 172198

Ile(5)-angiotensin II is an angiotensin II that acts on the central nervous system (PDB entry: 1N9V). It has a role as a human metabolite. It is a tautomer of an Ile(5)-angiotensin II dizwitterion.

2D Structure

Properties

C₅₀H₇₁N₁₃O₁₂

Molecular Formula

1046.20

Molecular Weight

g/mol

1045.5345

Exact Mass

-1.7

XLogP

Drug-like (Lipinski: < 5)

409

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

1980

Complexity

SMILES

Canonical SMILES

SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

Isomeric SMILES

SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N

Synonyms(20)

ANGIOTENSIN II4474-91-3Human angiotensin IIAngiotensin II (human)Ang II5-L-Isoleucineangiotensin II5-Isoleucine-angiotensin IIAngiotensin II (mouse)Asp-Arg-Val-Tyr-Ile-His-Pro-Phe1-8-Angiotensin IIsoleucine5-angiotensin IIangiotensine IIAngiotensina IIAngiotensin II (human type)Delivert

Data from PubChem (NCBI)

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Molecular Structure

Angiotensin Ii

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Source: PubChem

Drug Network

Trials and conditions connected to Angiotensin Ii

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