AG 85-12

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Basic information

CAS: 121521-00-4
Standard SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ncc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O
InChIKey: OCPDFWVOTXYQBC-BKKYOMMVSA-N
Molecular formula: C40H56N10O8
Average molar mass: 804.9 g/mol
Monoisotopic mass: 804.42825878

Overview

mimics the C-terminal portion of angiotensin I

Names & identifiers

Preferred name: AG 85-12
IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-(1H-imidazol-2-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
English name: Ag 85-12
Molecular formula: C40H56N10O8
Molecular weight: 804.93484

Names & synonyms

121521-00-4AG 85-12AG-85-12DTXSID10153298RefChem:110067DTXCID5075789Ac-Ile-his-pro-phe-his-leu(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-(1H-imidazol-2-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acidAngiotensin I, 1-de-L-aspartic acid-2-de-L-arginine-3-de-L-valine-4-de-L-tyrosine-5-(N-acetyl-L-isoleucine)-N-Acetyl-L-isoleucyl-3-(1H-imidazol-2-yl)-L-alanyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucine

Database identifiers

CAS: 121521-00-4
PubChem CID: 3082986
DTXSID: DTXSID10153298

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 260 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 21
Heavy atoms: 58
Formal charge: 0
Complexity: 1,430

Chemistry & industry

Applications

DescriptionAG 85-12 mimics the C-terminal portion of angiotensin I.

Related reactions

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Compound notes

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