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Angiotensin III, human

CAT: 1410-M40835-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Angiotensin III is an agonist of angiotensin 1 (AT1) and AT2 receptor.
CAS Number
12687-51-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
931.1
Molecular Formula
C46H66N12O9
Notes
Research use only, not for human use.
Receptor
Endogenous Metabolite

Chemical Information

angiotensin III

Angiotensin III is a peptide.

CAS Number12687-51-3
PubChem CID3082042
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular FormulaC46H66N12O9
Molecular Weight931.1
XLogP-0.5
Topological Polar Surface Area342
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Heavy Atom Count67
Formal Charge0
Complexity1680
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)N
InChI
InChI=1S/C46H66N12O9/c1-5-27(4)38(57-40(61)33(21-29-15-17-31(59)18-16-29)53-42(63)37(26(2)3)56-39(60)32(47)13-9-19-51-46(48)49)43(64)54-34(23-30-24-50-25-52-30)44(65)58-20-10-14-36(58)41(62)55-35(45(66)67)22-28-11-7-6-8-12-28/h6-8,11-12,15-18,24-27,32-38,59H,5,9-10,13-14,19-23,47H2,1-4H3,(H,50,52)(H,53,63)(H,54,64)(H,55,62)(H,56,60)(H,57,61)(H,66,67)(H4,48,49,51)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
QMMRCKSBBNJCMR-KMZPNFOHSA-N
Chemical Structure
2D Structure
2D structure of angiotensin III
CAS: 12687-51-3
CID: 3082042
Formula: C46H66N12O9
MW: 931.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight931.1
XLogP3-0.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Exact Mass930.50757173
Monoisotopic Mass930.50757173
Topological Polar Surface Area342 Ų
Heavy Atom Count67
Formal Charge0
Complexity1680
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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