Angiotensin III

CAT: 0931-T10322Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T10322Size:25 mg

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CAS Number

12687-51-3

Target

Others

Related Pathways

Others

Bioactivity

Angiotensin III is an agonist of angiotensin 1 (AT1) and AT2 receptor.

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

Molecular Formula

Molecular Weight

931.11

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

angiotensin III

Angiotensin III is a peptide.

CAS Number	12687-51-3
PubChem CID	3082042
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 Formula	C46H66N12O9
Molecular Weight	931.1
XLogP	-0.5
Topological Polar Surface Area	342
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	25
Heavy Atom Count	67
Formal Charge	0
Complexity	1680

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

CAS: 12687-51-3

CID: 3082042

Formula: C46H66N12O9

MW: 931.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	931.1
XLogP3	-0.5
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	25
Exact Mass	930.50757173
Monoisotopic Mass	930.50757173
Topological Polar Surface Area	342 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1680
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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PT_39904-01	Angiotensin (Angiotensin)
7-02468	Angiotensin
PA16913-01	Angiotensin A
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Angiotensin III

Chemical Information

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