angiotensin II, Ala(8)-
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]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
Molecular Identity
angiotensin II, Ala(8)-
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]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
PubChem CID: 5748345
2D Structure
Properties
C44H67N13O12
Molecular Formula
970.10
Molecular Weight
g/mol
969.5032
Exact Mass
Da
-3.3
XLogP
Drug-like (Lipinski: < 5)
409
TPSA
May have limited oral absorption
13
H-Bond Donors
15
H-Bond Acceptors
1830
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(C)C(=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)N[C@@H](C)C(=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(15)
Angiotensin II, ala(8)-8-Ala-angiotensin II18197-01-88-Alanine-angiotensin IIAngiotensin II, alanine(8)-DTXSID20171221RefChem:915856DTXCID0093712ANGIOTENSIN-IICHEMBL2392353SCHEMBL29362121SCHEMBL29973063(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]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 acidAngiotensin II, 5-L-isoleucine-8-L-alanine-L-alpha-Aspartyl-N~5~-(diaminomethylidene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-alanine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to angiotensin II, Ala(8)-
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