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Chemical structure of Angiotensin II human TFA

GC62844

Angiotensin II human TFA

Also known as (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;2,2,2-trifluoroacetic acid

Angiotensin II human (Angiotensin II) TFA is a vasoconstrictor and a major bioactive peptide of the renin/angiotensin system

ChemicalCAS2761969-44-0MW1160.2FormulaC52H72F3N13O14
CAS number
2761969-44-0
Molecular weight
1160.2
Formula
C52H72F3N13O14
Solubility
Water ： 10 mg/mL (8·62 mM; Need ultrasonic)
InChIKey
FYMJZKAYBCZPKL-PIONDTTLSA-N
Catalogue number
GC62844
Brand
GLPBIO
Computed properties PubChem CID 146047991 · TPSA 446 Ų · H-bond donors 14 · H-bond acceptors 20
TPSA
446 Ų
H-bond donors
14
H-bond acceptors
20
Rotatable bonds
29
Heavy atoms
82

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.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 146047991), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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