Overview
AOD9604 is listed in PubChem as AOD-9604 (CID 71300630), with the molecular formula C78H123N23O23S2 and a molecular weight of 1815.1 g/mol. Other names in PubChem include AOD 9604. It is supplied as a lyophilized powder in sealed 5 mg vials.
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Molecular profile
| PubChem name | AOD-9604 |
|---|---|
| Also known as (PubChem) | AOD 9604 |
| Molecular formula | C78H123N23O23S2 |
| Molecular weight | 1815.1 g/mol |
| CAS number | 221231-10-3 |
| PubChem CID | 71300630 |
Computed properties (PubChem)
| Exact mass | 1813.8604 Da |
|---|---|
| Monoisotopic mass | 1813.8604 Da |
| XLogP3 | −4.8 |
| Topological polar surface area | 815 Ų |
| Hydrogen bond donors | 28 |
| Hydrogen bond acceptors | 28 |
| Rotatable bonds | 45 |
| Heavy atoms | 126 |
| Formal charge | 0 |
| Complexity | 3710 |
| Defined stereocenters | 15 of 15 |
Identifiers (PubChem)
| InChIKey | GVIYUKXRXPXMQM-BPXGDYAESA-N |
|---|---|
| UNII | 7UP768IP4M |
IUPAC name (PubChem)
(2S)-2-[[2-[[(4R,7S,13S,16S,19S,22S,25R)-25-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-22-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-7,19-bis(hydroxymethyl)-6,9,12,15,18,21,24-heptaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid
Source: PubChem compound 71300630